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Merge branch 'feature/dirichlet-gparity' of https://github.com/paboyle/Grid into feature/dirichlet-gparity

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This commit is contained in:
Peter Boyle
2022-07-01 09:55:43 -04:00
parent 3d8146b596 7319d4e1ad
commit 4df1e0987f
17 changed files with 1920 additions and 310 deletions
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52
Grid/qcd/action/ActionParams.h
View File

@ -37,6 +37,7 @@ NAMESPACE_BEGIN(Grid);
// These can move into a params header and be given MacroMagic serialisation
struct GparityWilsonImplParams {
Coordinate twists;
//mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
GparityWilsonImplParams() : twists(Nd, 0) {};
};
@ -66,7 +67,8 @@ struct StaggeredImplParams {
RealD, mdtolerance,
int, degree,
int, precision,
int, BoundsCheckFreq);
int, BoundsCheckFreq,
RealD, BoundsCheckTol);
// MaxIter and tolerance, vectors??
@ -78,7 +80,8 @@ struct StaggeredImplParams {
int _degree = 10,
int _precision = 64,
int _BoundsCheckFreq=20,
RealD mdtol = 1.0e-6)
RealD mdtol = 1.0e-6,
double _BoundsCheckTol=1e-6)
: lo(_lo),
hi(_hi),
MaxIter(_maxit),
@ -86,9 +89,52 @@ struct StaggeredImplParams {
mdtolerance(mdtol),
degree(_degree),
precision(_precision),
BoundsCheckFreq(_BoundsCheckFreq){};
BoundsCheckFreq(_BoundsCheckFreq),
BoundsCheckTol(_BoundsCheckTol){};
};
/*Action parameters for the generalized rational action
The approximation is for (M^dag M)^{1/inv_pow}
where inv_pow is the denominator of the fractional power.
Default inv_pow=2 for square root, making this equivalent to
the OneFlavourRational action
*/
struct RationalActionParams : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(RationalActionParams,
int, inv_pow,
RealD, lo, //low eigenvalue bound of rational approx
RealD, hi, //high eigenvalue bound of rational approx
int, MaxIter, //maximum iterations in msCG
RealD, action_tolerance, //msCG tolerance in action evaluation
int, action_degree, //rational approx tolerance in action evaluation
RealD, md_tolerance, //msCG tolerance in MD integration
int, md_degree, //rational approx tolerance in MD integration
int, precision, //precision of floating point arithmetic
int, BoundsCheckFreq); //frequency the approximation is tested (with Metropolis degree/tolerance); 0 disables the check
// constructor
RationalActionParams(int _inv_pow = 2,
RealD _lo = 0.0,
RealD _hi = 1.0,
int _maxit = 1000,
RealD _action_tolerance = 1.0e-8,
int _action_degree = 10,
RealD _md_tolerance = 1.0e-8,
int _md_degree = 10,
int _precision = 64,
int _BoundsCheckFreq=20)
: inv_pow(_inv_pow),
lo(_lo),
hi(_hi),
MaxIter(_maxit),
action_tolerance(_action_tolerance),
action_degree(_action_degree),
md_tolerance(_md_tolerance),
md_degree(_md_degree),
precision(_precision),
BoundsCheckFreq(_BoundsCheckFreq){};
};
NAMESPACE_END(Grid);
#endif

60
Grid/qcd/action/pseudofermion/Bounds.h
View File

@ -65,13 +65,65 @@ NAMESPACE_BEGIN(Grid);
X=X-Y;
RealD Nd = norm2(X);
std::cout << "************************* "<<std::endl;
std::cout << " noise = "<<Nx<<std::endl;
std::cout << " (MdagM^-1/2)^2 noise = "<<Nz<<std::endl;
std::cout << " MdagM (MdagM^-1/2)^2 noise = "<<Ny<<std::endl;
std::cout << " noise - MdagM (MdagM^-1/2)^2 noise = "<<Nd<<std::endl;
std::cout << " | noise |^2 = "<<Nx<<std::endl;
std::cout << " | (MdagM^-1/2)^2 noise |^2 = "<<Nz<<std::endl;
std::cout << " | MdagM (MdagM^-1/2)^2 noise |^2 = "<<Ny<<std::endl;
std::cout << " | noise - MdagM (MdagM^-1/2)^2 noise |^2 = "<<Nd<<std::endl;
std::cout << " | noise - MdagM (MdagM^-1/2)^2 noise|/|noise| = " << std::sqrt(Nd/Nx) << std::endl;
std::cout << "************************* "<<std::endl;
assert( (std::sqrt(Nd/Nx)<tol) && " InverseSqrtBoundsCheck ");
}
/* For a HermOp = M^dag M, check the approximation of HermOp^{-1/inv_pow}
by computing |X - HermOp * [ Hermop^{-1/inv_pow} ]^{inv_pow} X| < tol
for noise X (aka GaussNoise).
ApproxNegPow should be the rational approximation for X^{-1/inv_pow}
*/
template<class Field> void InversePowerBoundsCheck(int inv_pow,
int MaxIter,double tol,
LinearOperatorBase<Field> &HermOp,
Field &GaussNoise,
MultiShiftFunction &ApproxNegPow)
{
GridBase *FermionGrid = GaussNoise.Grid();
Field X(FermionGrid);
Field Y(FermionGrid);
Field Z(FermionGrid);
Field tmp1(FermionGrid), tmp2(FermionGrid);
X=GaussNoise;
RealD Nx = norm2(X);
ConjugateGradientMultiShift<Field> msCG(MaxIter,ApproxNegPow);
tmp1 = X;
Field* in = &tmp1;
Field* out = &tmp2;
for(int i=0;i<inv_pow;i++){ //apply [ Hermop^{-1/inv_pow} ]^{inv_pow} X = HermOp^{-1} X
msCG(HermOp, *in, *out); //backwards conventions!
if(i!=inv_pow-1) std::swap(in, out);
}
Z = *out;
RealD Nz = norm2(Z);
HermOp.HermOp(Z,Y);
RealD Ny = norm2(Y);
X=X-Y;
RealD Nd = norm2(X);
std::cout << "************************* "<<std::endl;
std::cout << " | noise |^2 = "<<Nx<<std::endl;
std::cout << " | (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2 = "<<Nz<<std::endl;
std::cout << " | MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2 = "<<Ny<<std::endl;
std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2 = "<<Nd<<std::endl;
std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |/| noise | = "<<std::sqrt(Nd/Nx)<<std::endl;
std::cout << "************************* "<<std::endl;
assert( (std::sqrt(Nd/Nx)<tol) && " InversePowerBoundsCheck ");
}
NAMESPACE_END(Grid);

229
Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h
View File

@ -44,6 +44,10 @@ NAMESPACE_BEGIN(Grid);
// Exact one flavour implementation of DWF determinant ratio //
///////////////////////////////////////////////////////////////
//Note: using mixed prec CG for the heatbath solver in this action class will not work
// because the L, R operators must have their shift coefficients updated throughout the heatbath step
// You will find that the heatbath solver simply won't converge.
// To use mixed precision here use the ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction variant below
template<class Impl>
class ExactOneFlavourRatioPseudoFermionAction : public Action<typename Impl::GaugeField>
{
@ -57,37 +61,60 @@ NAMESPACE_BEGIN(Grid);
bool use_heatbath_forecasting;
AbstractEOFAFermion<Impl>& Lop; // the basic LH operator
AbstractEOFAFermion<Impl>& Rop; // the basic RH operator
SchurRedBlackDiagMooeeSolve<FermionField> SolverHB;
SchurRedBlackDiagMooeeSolve<FermionField> SolverHBL;
SchurRedBlackDiagMooeeSolve<FermionField> SolverHBR;
SchurRedBlackDiagMooeeSolve<FermionField> SolverL;
SchurRedBlackDiagMooeeSolve<FermionField> SolverR;
SchurRedBlackDiagMooeeSolve<FermionField> DerivativeSolverL;
SchurRedBlackDiagMooeeSolve<FermionField> DerivativeSolverR;
FermionField Phi; // the pseudofermion field for this trajectory
RealD norm2_eta; //|eta|^2 where eta is the random gaussian field used to generate the pseudofermion field
bool initial_action; //true for the first call to S after refresh, for which the identity S = |eta|^2 holds provided the rational approx is good
public:
//Used in the heatbath, refresh the shift coefficients of the L (LorR=0) or R (LorR=1) operator
virtual void heatbathRefreshShiftCoefficients(int LorR, RealD to){
AbstractEOFAFermion<Impl>&op = LorR == 0 ? Lop : Rop;
op.RefreshShiftCoefficients(to);
}
//Use the same solver for L,R in all cases
ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop,
AbstractEOFAFermion<Impl>& _Rop,
OperatorFunction<FermionField>& CG,
Params& p,
bool use_fc=false)
: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,CG,CG,CG,CG,CG,p,use_fc) {};
: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,CG,CG,CG,CG,CG,CG,p,use_fc) {};
//Use the same solver for L,R in the heatbath but different solvers elsewhere
ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop,
AbstractEOFAFermion<Impl>& _Rop,
OperatorFunction<FermionField>& HeatbathCG,
OperatorFunction<FermionField>& HeatbathCG,
OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR,
OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR,
Params& p,
bool use_fc=false)
: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,HeatbathCG,HeatbathCG, ActionCGL, ActionCGR, DerivCGL,DerivCGR,p,use_fc) {};
//Use different solvers for L,R in all cases
ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop,
AbstractEOFAFermion<Impl>& _Rop,
OperatorFunction<FermionField>& HeatbathCGL, OperatorFunction<FermionField>& HeatbathCGR,
OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR,
OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR,
Params& p,
bool use_fc=false) :
Lop(_Lop),
Rop(_Rop),
SolverHB(HeatbathCG,false,true),
SolverHBL(HeatbathCGL,false,true), SolverHBR(HeatbathCGR,false,true),
SolverL(ActionCGL, false, true), SolverR(ActionCGR, false, true),
DerivativeSolverL(DerivCGL, false, true), DerivativeSolverR(DerivCGR, false, true),
Phi(_Lop.FermionGrid()),
param(p),
use_heatbath_forecasting(use_fc)
use_heatbath_forecasting(use_fc),
initial_action(false)
{
AlgRemez remez(param.lo, param.hi, param.precision);
@ -97,6 +124,8 @@ NAMESPACE_BEGIN(Grid);
PowerNegHalf.Init(remez, param.tolerance, true);
};
const FermionField &getPhi() const{ return Phi; }
virtual std::string action_name() { return "ExactOneFlavourRatioPseudoFermionAction"; }
virtual std::string LogParameters() {
@ -117,6 +146,19 @@ NAMESPACE_BEGIN(Grid);
else{ for(int s=0; s<Ls; ++s){ axpby_ssp_pminus(out, 0.0, in, 1.0, in, s, s); } }
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
// P(eta_o) = e^{- eta_o^dag eta_o}
//
// e^{x^2/2 sig^2} => sig^2 = 0.5.
//
RealD scale = std::sqrt(0.5);
FermionField eta (Lop.FermionGrid());
gaussian(pRNG,eta); eta = eta * scale;
refresh(U,eta);
}
// EOFA heatbath: see Eqn. (29) of arXiv:1706.05843
// We generate a Gaussian noise vector \eta, and then compute
// \Phi = M_{\rm EOFA}^{-1/2} * \eta
@ -124,12 +166,10 @@ NAMESPACE_BEGIN(Grid);
//
// As a check of rational require \Phi^dag M_{EOFA} \Phi == eta^dag M^-1/2^dag M M^-1/2 eta = eta^dag eta
//
virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
{
void refresh(const GaugeField &U, const FermionField &eta) {
Lop.ImportGauge(U);
Rop.ImportGauge(U);
FermionField eta (Lop.FermionGrid());
FermionField CG_src (Lop.FermionGrid());
FermionField CG_soln (Lop.FermionGrid());
FermionField Forecast_src(Lop.FermionGrid());
@ -140,11 +180,6 @@ NAMESPACE_BEGIN(Grid);
if(use_heatbath_forecasting){ prev_solns.reserve(param.degree); }
ChronoForecast<AbstractEOFAFermion<Impl>, FermionField> Forecast;
// Seed with Gaussian noise vector (var = 0.5)
RealD scale = std::sqrt(0.5);
gaussian(pRNG,eta);
eta = eta * scale;
// \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
RealD N(PowerNegHalf.norm);
for(int k=0; k<param.degree; ++k){ N += PowerNegHalf.residues[k] / ( 1.0 + PowerNegHalf.poles[k] ); }
@ -160,15 +195,15 @@ NAMESPACE_BEGIN(Grid);
tmp[1] = Zero();
for(int k=0; k<param.degree; ++k){
gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
Lop.RefreshShiftCoefficients(-gamma_l);
heatbathRefreshShiftCoefficients(0, -gamma_l);
if(use_heatbath_forecasting){ // Forecast CG guess using solutions from previous poles
Lop.Mdag(CG_src, Forecast_src);
CG_soln = Forecast(Lop, Forecast_src, prev_solns);
SolverHB(Lop, CG_src, CG_soln);
SolverHBL(Lop, CG_src, CG_soln);
prev_solns.push_back(CG_soln);
} else {
CG_soln = Zero(); // Just use zero as the initial guess
SolverHB(Lop, CG_src, CG_soln);
SolverHBL(Lop, CG_src, CG_soln);
}
Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = tmp[1] + ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Lop.k ) * tmp[0];
@ -187,15 +222,15 @@ NAMESPACE_BEGIN(Grid);
if(use_heatbath_forecasting){ prev_solns.clear(); } // empirically, LH solns don't help for RH solves
for(int k=0; k<param.degree; ++k){
gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
if(use_heatbath_forecasting){
Rop.Mdag(CG_src, Forecast_src);
CG_soln = Forecast(Rop, Forecast_src, prev_solns);
SolverHB(Rop, CG_src, CG_soln);
SolverHBR(Rop, CG_src, CG_soln);
prev_solns.push_back(CG_soln);
} else {
CG_soln = Zero();
SolverHB(Rop, CG_src, CG_soln);
SolverHBR(Rop, CG_src, CG_soln);
}
Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = tmp[1] - ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Rop.k ) * tmp[0];
@ -205,49 +240,117 @@ NAMESPACE_BEGIN(Grid);
Phi = Phi + tmp[1];
// Reset shift coefficients for energy and force evals
Lop.RefreshShiftCoefficients(0.0);
Rop.RefreshShiftCoefficients(-1.0);
heatbathRefreshShiftCoefficients(0, 0.0);
heatbathRefreshShiftCoefficients(1, -1.0);
//Mark that the next call to S is the first after refresh
initial_action = true;
// Bounds check
RealD EtaDagEta = norm2(eta);
norm2_eta = EtaDagEta;
// RealD PhiDagMPhi= norm2(eta);
};
void Meofa(const GaugeField& U,const FermionField &phi, FermionField & Mphi)
void Meofa(const GaugeField& U,const FermionField &in, FermionField & out)
{
#if 0
Lop.ImportGauge(U);
Rop.ImportGauge(U);
FermionField spProj_Phi(Lop.FermionGrid());
FermionField mPhi(Lop.FermionGrid());
FermionField spProj_in(Lop.FermionGrid());
std::vector<FermionField> tmp(2, Lop.FermionGrid());
mPhi = phi;
out = in;
// LH term: S = S - k <\Phi| P_{-} \Omega_{-}^{\dagger} H(mf)^{-1} \Omega_{-} P_{-} |\Phi>
spProj(Phi, spProj_Phi, -1, Lop.Ls);
Lop.Omega(spProj_Phi, tmp[0], -1, 0);
spProj(in, spProj_in, -1, Lop.Ls);
Lop.Omega(spProj_in, tmp[0], -1, 0);
G5R5(tmp[1], tmp[0]);
tmp[0] = Zero();
SolverL(Lop, tmp[1], tmp[0]);
Lop.Dtilde(tmp[0], tmp[1]); // We actually solved Cayley preconditioned system: transform back
Lop.Omega(tmp[1], tmp[0], -1, 1);
mPhi = mPhi - Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
spProj(tmp[0], tmp[1], -1, Lop.Ls);
out = out - Lop.k * tmp[1];
// RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
// - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
spProj(Phi, spProj_Phi, 1, Rop.Ls);
Rop.Omega(spProj_Phi, tmp[0], 1, 0);
// - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
spProj(in, spProj_in, 1, Rop.Ls);
Rop.Omega(spProj_in, tmp[0], 1, 0);
G5R5(tmp[1], tmp[0]);
tmp[0] = Zero();
SolverR(Rop, tmp[1], tmp[0]);
Rop.Dtilde(tmp[0], tmp[1]);
Rop.Omega(tmp[1], tmp[0], 1, 1);
action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
#endif
spProj(tmp[0], tmp[1], 1, Rop.Ls);
out = out + Rop.k * tmp[1];
}
//Due to the structure of EOFA, it is no more expensive to compute the inverse of Meofa
//To ensure correctness we can simply reuse the heatbath code but use the rational approx
//f(x) = 1/x which corresponds to alpha_0=0, alpha_1=1, beta_1=0 => gamma_1=1
void MeofaInv(const GaugeField &U, const FermionField &in, FermionField &out) {
Lop.ImportGauge(U);
Rop.ImportGauge(U);
FermionField CG_src (Lop.FermionGrid());
FermionField CG_soln (Lop.FermionGrid());
std::vector<FermionField> tmp(2, Lop.FermionGrid());
// \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
// = 1 * \eta
out = in;
// LH terms:
// \Phi = \Phi + k \sum_{k=1}^{N_{p}} P_{-} \Omega_{-}^{\dagger} ( H(mf)
// - \gamma_{l} \Delta_{-}(mf,mb) P_{-} )^{-1} \Omega_{-} P_{-} \eta
spProj(in, tmp[0], -1, Lop.Ls);
Lop.Omega(tmp[0], tmp[1], -1, 0);
G5R5(CG_src, tmp[1]);
{
heatbathRefreshShiftCoefficients(0, -1.); //-gamma_1 = -1.
CG_soln = Zero(); // Just use zero as the initial guess
SolverHBL(Lop, CG_src, CG_soln);
Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = Lop.k * tmp[0];
}
Lop.Omega(tmp[1], tmp[0], -1, 1);
spProj(tmp[0], tmp[1], -1, Lop.Ls);
out = out + tmp[1];
// RH terms:
// \Phi = \Phi - k \sum_{k=1}^{N_{p}} P_{+} \Omega_{+}^{\dagger} ( H(mb)
// - \beta_l\gamma_{l} \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} \eta
spProj(in, tmp[0], 1, Rop.Ls);
Rop.Omega(tmp[0], tmp[1], 1, 0);
G5R5(CG_src, tmp[1]);
{
heatbathRefreshShiftCoefficients(1, 0.); //-gamma_1 * beta_1 = 0
CG_soln = Zero();
SolverHBR(Rop, CG_src, CG_soln);
Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = - Rop.k * tmp[0];
}
Rop.Omega(tmp[1], tmp[0], 1, 1);
spProj(tmp[0], tmp[1], 1, Rop.Ls);
out = out + tmp[1];
// Reset shift coefficients for energy and force evals
heatbathRefreshShiftCoefficients(0, 0.0);
heatbathRefreshShiftCoefficients(1, -1.0);
};
// EOFA action: see Eqn. (10) of arXiv:1706.05843
virtual RealD S(const GaugeField& U)
{
@ -271,7 +374,7 @@ NAMESPACE_BEGIN(Grid);
action -= Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
// RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
// - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
// - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
spProj(Phi, spProj_Phi, 1, Rop.Ls);
Rop.Omega(spProj_Phi, tmp[0], 1, 0);
G5R5(tmp[1], tmp[0]);
@ -281,6 +384,26 @@ NAMESPACE_BEGIN(Grid);
Rop.Omega(tmp[1], tmp[0], 1, 1);
action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
if(initial_action){
//For the first call to S after refresh, S = |eta|^2. We can use this to ensure the rational approx is good
RealD diff = action - norm2_eta;
//S_init = eta^dag M^{-1/2} M M^{-1/2} eta
//S_init - eta^dag eta = eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta
//If approximate solution
//S_init - eta^dag eta = eta^dag ( [M^{-1/2}+\delta M^{-1/2}] M [M^{-1/2}+\delta M^{-1/2}] - 1 ) eta
// \approx eta^dag ( \delta M^{-1/2} M^{1/2} + M^{1/2}\delta M^{-1/2} ) eta
// We divide out |eta|^2 to remove source scaling but the tolerance on this check should still be somewhat higher than the actual approx tolerance
RealD test = fabs(diff)/norm2_eta; //test the quality of the rational approx
std::cout << GridLogMessage << action_name() << " initial action " << action << " expect " << norm2_eta << "; diff " << diff << std::endl;
std::cout << GridLogMessage << action_name() << "[ eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta ]/|eta^2| = " << test << " expect 0 (tol " << param.BoundsCheckTol << ")" << std::endl;
assert( ( test < param.BoundsCheckTol ) && " Initial action check failed" );
initial_action = false;
}
return action;
};
@ -329,6 +452,40 @@ NAMESPACE_BEGIN(Grid);
};
};
template<class ImplD, class ImplF>
class ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction : public ExactOneFlavourRatioPseudoFermionAction<ImplD>{
public:
INHERIT_IMPL_TYPES(ImplD);
typedef OneFlavourRationalParams Params;
private:
AbstractEOFAFermion<ImplF>& LopF; // the basic LH operator
AbstractEOFAFermion<ImplF>& RopF; // the basic RH operator
public:
virtual std::string action_name() { return "ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction"; }
//Used in the heatbath, refresh the shift coefficients of the L (LorR=0) or R (LorR=1) operator
virtual void heatbathRefreshShiftCoefficients(int LorR, RealD to){
AbstractEOFAFermion<ImplF> &op = LorR == 0 ? LopF : RopF;
op.RefreshShiftCoefficients(to);
this->ExactOneFlavourRatioPseudoFermionAction<ImplD>::heatbathRefreshShiftCoefficients(LorR,to);
}
ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction(AbstractEOFAFermion<ImplF>& _LopF,
AbstractEOFAFermion<ImplF>& _RopF,
AbstractEOFAFermion<ImplD>& _LopD,
AbstractEOFAFermion<ImplD>& _RopD,
OperatorFunction<FermionField>& HeatbathCGL, OperatorFunction<FermionField>& HeatbathCGR,
OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR,
OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR,
Params& p,
bool use_fc=false) :
LopF(_LopF), RopF(_RopF), ExactOneFlavourRatioPseudoFermionAction<ImplD>(_LopD, _RopD, HeatbathCGL, HeatbathCGR, ActionCGL, ActionCGR, DerivCGL, DerivCGR, p, use_fc){}
};
NAMESPACE_END(Grid);
#endif

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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@bnl.gov>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
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 QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_H
#define QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////
// Generic rational approximation for ratios of operators
/////////////////////////////////////////////////////////
/* S_f = -log( det( [M^dag M]/[V^dag V] )^{1/inv_pow} )
= chi^dag ( [M^dag M]/[V^dag V] )^{-1/inv_pow} chi\
= chi^dag ( [V^dag V]^{-1/2} [M^dag M] [V^dag V]^{-1/2} )^{-1/inv_pow} chi\
= chi^dag [V^dag V]^{1/(2*inv_pow)} [M^dag M]^{-1/inv_pow} [V^dag V]^{1/(2*inv_pow)} chi\
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
BIG WARNING:
Here V^dag V is referred to in this code as the "numerator" operator and M^dag M is the *denominator* operator.
this refers to their position in the pseudofermion action, which is the *inverse* of what appears in the determinant
Thus for DWF the numerator operator is the Pauli-Villars operator
Here P/Q \sim R_{1/(2*inv_pow)} ~ (V^dagV)^{1/(2*inv_pow)}
Here N/D \sim R_{-1/inv_pow} ~ (M^dagM)^{-1/inv_pow}
*/
template<class Impl>
class GeneralEvenOddRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
public:
INHERIT_IMPL_TYPES(Impl);
typedef RationalActionParams Params;
Params param;
//For action evaluation
MultiShiftFunction ApproxPowerAction ; //rational approx for X^{1/inv_pow}
MultiShiftFunction ApproxNegPowerAction; //rational approx for X^{-1/inv_pow}
MultiShiftFunction ApproxHalfPowerAction; //rational approx for X^{1/(2*inv_pow)}
MultiShiftFunction ApproxNegHalfPowerAction; //rational approx for X^{-1/(2*inv_pow)}
//For the MD integration
MultiShiftFunction ApproxPowerMD ; //rational approx for X^{1/inv_pow}
MultiShiftFunction ApproxNegPowerMD; //rational approx for X^{-1/inv_pow}
MultiShiftFunction ApproxHalfPowerMD; //rational approx for X^{1/(2*inv_pow)}
MultiShiftFunction ApproxNegHalfPowerMD; //rational approx for X^{-1/(2*inv_pow)}
private:
FermionOperator<Impl> & NumOp;// the basic operator
FermionOperator<Impl> & DenOp;// the basic operator
FermionField PhiEven; // the pseudo fermion field for this trajectory
FermionField PhiOdd; // the pseudo fermion field for this trajectory
//Generate the approximation to x^{1/inv_pow} (->approx) and x^{-1/inv_pow} (-> approx_inv) by an approx_degree degree rational approximation
//CG_tolerance is used to issue a warning if the approximation error is larger than the tolerance of the CG and is otherwise just stored in the MultiShiftFunction for use by the multi-shift
static void generateApprox(MultiShiftFunction &approx, MultiShiftFunction &approx_inv, int inv_pow, int approx_degree, double CG_tolerance, AlgRemez &remez){
std::cout<<GridLogMessage << "Generating degree "<< approx_degree<<" approximation for x^(1/" << inv_pow << ")"<<std::endl;
double error = remez.generateApprox(approx_degree,1,inv_pow);
if(error > CG_tolerance)
std::cout<<GridLogMessage << "WARNING: Remez approximation has a larger error " << error << " than the CG tolerance " << CG_tolerance << "! Try increasing the number of poles" << std::endl;
approx.Init(remez, CG_tolerance,false);
approx_inv.Init(remez, CG_tolerance,true);
}
protected:
static constexpr bool Numerator = true;
static constexpr bool Denominator = false;
//Allow derived classes to override the multishift CG
virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionField &in, FermionField &out){
SchurDifferentiableOperator<Impl> schurOp(numerator ? NumOp : DenOp);
ConjugateGradientMultiShift<FermionField> msCG(MaxIter, approx);
msCG(schurOp,in, out);
}
virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionField &in, std::vector<FermionField> &out_elems, FermionField &out){
SchurDifferentiableOperator<Impl> schurOp(numerator ? NumOp : DenOp);
ConjugateGradientMultiShift<FermionField> msCG(MaxIter, approx);
msCG(schurOp,in, out_elems, out);
}
//Allow derived classes to override the gauge import
virtual void ImportGauge(const GaugeField &U){
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
}
public:
GeneralEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl> &_NumOp,
FermionOperator<Impl> &_DenOp,
const Params & p
) :
NumOp(_NumOp),
DenOp(_DenOp),
PhiOdd (_NumOp.FermionRedBlackGrid()),
PhiEven(_NumOp.FermionRedBlackGrid()),
param(p)
{
std::cout<<GridLogMessage << action_name() << " initialize: starting" << std::endl;
AlgRemez remez(param.lo,param.hi,param.precision);
//Generate approximations for action eval
generateApprox(ApproxPowerAction, ApproxNegPowerAction, param.inv_pow, param.action_degree, param.action_tolerance, remez);
generateApprox(ApproxHalfPowerAction, ApproxNegHalfPowerAction, 2*param.inv_pow, param.action_degree, param.action_tolerance, remez);
//Generate approximations for MD
if(param.md_degree != param.action_degree){ //note the CG tolerance is unrelated to the stopping condition of the Remez algorithm
generateApprox(ApproxPowerMD, ApproxNegPowerMD, param.inv_pow, param.md_degree, param.md_tolerance, remez);
generateApprox(ApproxHalfPowerMD, ApproxNegHalfPowerMD, 2*param.inv_pow, param.md_degree, param.md_tolerance, remez);
}else{
std::cout<<GridLogMessage << "Using same rational approximations for MD as for action evaluation" << std::endl;
ApproxPowerMD = ApproxPowerAction;
ApproxNegPowerMD = ApproxNegPowerAction;
for(int i=0;i<ApproxPowerMD.tolerances.size();i++)
ApproxNegPowerMD.tolerances[i] = ApproxPowerMD.tolerances[i] = param.md_tolerance; //used for multishift
ApproxHalfPowerMD = ApproxHalfPowerAction;
ApproxNegHalfPowerMD = ApproxNegHalfPowerAction;
for(int i=0;i<ApproxPowerMD.tolerances.size();i++)
ApproxNegHalfPowerMD.tolerances[i] = ApproxHalfPowerMD.tolerances[i] = param.md_tolerance;
}
std::cout<<GridLogMessage << action_name() << " initialize: complete" << std::endl;
};
virtual std::string action_name(){return "GeneralEvenOddRatioRationalPseudoFermionAction";}
virtual std::string LogParameters(){
std::stringstream sstream;
sstream << GridLogMessage << "["<<action_name()<<"] Power : 1/" << param.inv_pow << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Low :" << param.lo << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] High :" << param.hi << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Max iterations :" << param.MaxIter << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Tolerance (Action) :" << param.action_tolerance << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Degree (Action) :" << param.action_degree << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Tolerance (MD) :" << param.md_tolerance << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Degree (MD) :" << param.md_degree << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Precision :" << param.precision << std::endl;
return sstream.str();
}
//Access the fermion field
const FermionField &getPhiOdd() const{ return PhiOdd; }
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
FermionField eta(NumOp.FermionGrid());
// P(eta) \propto e^{- eta^dag eta}
//
// The gaussian function draws from P(x) \propto e^{- x^2 / 2 } [i.e. sigma=1]
// Thus eta = x/sqrt{2} = x * sqrt(1/2)
RealD scale = std::sqrt(0.5);
gaussian(pRNG,eta); eta=eta*scale;
refresh(U,eta);
}
//Allow for manual specification of random field for testing
void refresh(const GaugeField &U, const FermionField &eta) {
// 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
//
// P(phi) = e^{- phi^dag (VdagV)^1/(2*inv_pow) (MdagM)^-1/inv_pow (VdagV)^1/(2*inv_pow) phi}
// = e^{- phi^dag (VdagV)^1/(2*inv_pow) (MdagM)^-1/(2*inv_pow) (MdagM)^-1/(2*inv_pow) (VdagV)^1/(2*inv_pow) phi}
//
// Phi = (VdagV)^-1/(2*inv_pow) Mdag^{1/(2*inv_pow)} eta
std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
FermionField etaOdd (NumOp.FermionRedBlackGrid());
FermionField etaEven(NumOp.FermionRedBlackGrid());
FermionField tmp(NumOp.FermionRedBlackGrid());
pickCheckerboard(Even,etaEven,eta);
pickCheckerboard(Odd,etaOdd,eta);
ImportGauge(U);
// MdagM^1/(2*inv_pow) eta
std::cout<<GridLogMessage << action_name() << " refresh: doing (M^dag M)^{1/" << 2*param.inv_pow << "} eta" << std::endl;
multiShiftInverse(Denominator, ApproxHalfPowerAction, param.MaxIter, etaOdd, tmp);
// VdagV^-1/(2*inv_pow) MdagM^1/(2*inv_pow) eta
std::cout<<GridLogMessage << action_name() << " refresh: doing (V^dag V)^{-1/" << 2*param.inv_pow << "} ( (M^dag M)^{1/" << 2*param.inv_pow << "} eta)" << std::endl;
multiShiftInverse(Numerator, ApproxNegHalfPowerAction, param.MaxIter, tmp, PhiOdd);
assert(NumOp.ConstEE() == 1);
assert(DenOp.ConstEE() == 1);
PhiEven = Zero();
std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
};
//////////////////////////////////////////////////////
// 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
//////////////////////////////////////////////////////
virtual RealD S(const GaugeField &U) {
std::cout<<GridLogMessage << action_name() << " compute action: starting" << std::endl;
ImportGauge(U);
FermionField X(NumOp.FermionRedBlackGrid());
FermionField Y(NumOp.FermionRedBlackGrid());
// VdagV^1/(2*inv_pow) Phi
std::cout<<GridLogMessage << action_name() << " compute action: doing (V^dag V)^{1/" << 2*param.inv_pow << "} Phi" << std::endl;
multiShiftInverse(Numerator, ApproxHalfPowerAction, param.MaxIter, PhiOdd,X);
// MdagM^-1/(2*inv_pow) VdagV^1/(2*inv_pow) Phi
std::cout<<GridLogMessage << action_name() << " compute action: doing (M^dag M)^{-1/" << 2*param.inv_pow << "} ( (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
multiShiftInverse(Denominator, ApproxNegHalfPowerAction, param.MaxIter, X,Y);
// Randomly apply rational bounds checks.
int rcheck = rand();
auto grid = NumOp.FermionGrid();
auto r=rand();
grid->Broadcast(0,r);
if ( param.BoundsCheckFreq != 0 && (r % param.BoundsCheckFreq)==0 ) {
std::cout<<GridLogMessage << action_name() << " compute action: doing bounds check" << std::endl;
FermionField gauss(NumOp.FermionRedBlackGrid());
gauss = PhiOdd;
SchurDifferentiableOperator<Impl> MdagM(DenOp);
std::cout<<GridLogMessage << action_name() << " compute action: checking high bounds" << std::endl;
HighBoundCheck(MdagM,gauss,param.hi);
std::cout<<GridLogMessage << action_name() << " compute action: full approximation" << std::endl;
InversePowerBoundsCheck(param.inv_pow,param.MaxIter,param.action_tolerance*100,MdagM,gauss,ApproxNegPowerAction);
std::cout<<GridLogMessage << action_name() << " compute action: bounds check complete" << std::endl;
}
// Phidag VdagV^1/(2*inv_pow) MdagM^-1/(2*inv_pow) MdagM^-1/(2*inv_pow) VdagV^1/(2*inv_pow) Phi
RealD action = norm2(Y);
std::cout<<GridLogMessage << action_name() << " compute action: complete" << std::endl;
return action;
};
// 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
//
// Here, M is some 5D operator and V is the Pauli-Villars field
// N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the denom term
//
// Need
// dS_f/dU = chi^dag d[P/Q] N/D P/Q chi
// + chi^dag P/Q d[N/D] P/Q chi
// + chi^dag P/Q N/D d[P/Q] chi
//
// P/Q is expressed as partial fraction expansion:
//
// a0 + \sum_k ak/(V^dagV + bk)
//
// d[P/Q] is then
//
// \sum_k -ak [V^dagV+bk]^{-1} [ dV^dag V + V^dag dV ] [V^dag V + bk]^{-1}
//
// and similar for N/D.
//
// Need
// MpvPhi_k = [Vdag V + bk]^{-1} chi
// MpvPhi = {a0 + \sum_k ak [Vdag V + bk]^{-1} }chi
//
// MfMpvPhi_k = [MdagM+bk]^{-1} MpvPhi
// MfMpvPhi = {a0 + \sum_k ak [Mdag M + bk]^{-1} } MpvPhi
//
// MpvMfMpvPhi_k = [Vdag V + bk]^{-1} MfMpvchi
//
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
std::cout<<GridLogMessage << action_name() << " deriv: starting" << std::endl;
const int n_f = ApproxNegPowerMD.poles.size();
const int n_pv = ApproxHalfPowerMD.poles.size();
std::vector<FermionField> MpvPhi_k (n_pv,NumOp.FermionRedBlackGrid());
std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionRedBlackGrid());
std::vector<FermionField> MfMpvPhi_k (n_f ,NumOp.FermionRedBlackGrid());
FermionField MpvPhi(NumOp.FermionRedBlackGrid());
FermionField MfMpvPhi(NumOp.FermionRedBlackGrid());
FermionField MpvMfMpvPhi(NumOp.FermionRedBlackGrid());
FermionField Y(NumOp.FermionRedBlackGrid());
GaugeField tmp(NumOp.GaugeGrid());
ImportGauge(U);
std::cout<<GridLogMessage << action_name() << " deriv: doing (V^dag V)^{1/" << 2*param.inv_pow << "} Phi" << std::endl;
multiShiftInverse(Numerator, ApproxHalfPowerMD, param.MaxIter, PhiOdd,MpvPhi_k,MpvPhi);
std::cout<<GridLogMessage << action_name() << " deriv: doing (M^dag M)^{-1/" << param.inv_pow << "} ( (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
multiShiftInverse(Denominator, ApproxNegPowerMD, param.MaxIter, MpvPhi,MfMpvPhi_k,MfMpvPhi);
std::cout<<GridLogMessage << action_name() << " deriv: doing (V^dag V)^{1/" << 2*param.inv_pow << "} ( (M^dag M)^{-1/" << param.inv_pow << "} (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
multiShiftInverse(Numerator, ApproxHalfPowerMD, param.MaxIter, MfMpvPhi,MpvMfMpvPhi_k,MpvMfMpvPhi);
SchurDifferentiableOperator<Impl> MdagM(DenOp);
SchurDifferentiableOperator<Impl> VdagV(NumOp);
RealD ak;
dSdU = Zero();
// With these building blocks
//
// dS/dU =
// \sum_k -ak MfMpvPhi_k^dag [ dM^dag M + M^dag dM ] MfMpvPhi_k (1)
// + \sum_k -ak MpvMfMpvPhi_k^\dag [ dV^dag V + V^dag dV ] MpvPhi_k (2)
// -ak MpvPhi_k^dag [ dV^dag V + V^dag dV ] MpvMfMpvPhi_k (3)
//(1)
std::cout<<GridLogMessage << action_name() << " deriv: doing dS/dU part (1)" << std::endl;
for(int k=0;k<n_f;k++){
ak = ApproxNegPowerMD.residues[k];
MdagM.Mpc(MfMpvPhi_k[k],Y);
MdagM.MpcDagDeriv(tmp , MfMpvPhi_k[k], Y ); dSdU=dSdU+ak*tmp;
MdagM.MpcDeriv(tmp , Y, MfMpvPhi_k[k] ); dSdU=dSdU+ak*tmp;
}
//(2)
//(3)
std::cout<<GridLogMessage << action_name() << " deriv: doing dS/dU part (2)+(3)" << std::endl;
for(int k=0;k<n_pv;k++){
ak = ApproxHalfPowerMD.residues[k];
VdagV.Mpc(MpvPhi_k[k],Y);
VdagV.MpcDagDeriv(tmp,MpvMfMpvPhi_k[k],Y); dSdU=dSdU+ak*tmp;
VdagV.MpcDeriv (tmp,Y,MpvMfMpvPhi_k[k]); dSdU=dSdU+ak*tmp;
VdagV.Mpc(MpvMfMpvPhi_k[k],Y); // V as we take Ydag
VdagV.MpcDeriv (tmp,Y, MpvPhi_k[k]); dSdU=dSdU+ak*tmp;
VdagV.MpcDagDeriv(tmp,MpvPhi_k[k], Y); dSdU=dSdU+ak*tmp;
}
//dSdU = Ta(dSdU);
std::cout<<GridLogMessage << action_name() << " deriv: complete" << std::endl;
};
};
NAMESPACE_END(Grid);
#endif

93
Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h Normal file
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@ -0,0 +1,93 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h
Copyright (C) 2015
Author: Christopher Kelly <ckelly@bnl.gov>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
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 QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_MIXED_PREC_H
#define QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_MIXED_PREC_H
NAMESPACE_BEGIN(Grid);
/////////////////////////////////////////////////////////////////////////////////////////////////////////////
// Generic rational approximation for ratios of operators utilizing the mixed precision multishift algorithm
// cf. GeneralEvenOddRational.h for details
/////////////////////////////////////////////////////////////////////////////////////////////////////////////
template<class ImplD, class ImplF>
class GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<ImplD> {
private:
typedef typename ImplD::FermionField FermionFieldD;
typedef typename ImplF::FermionField FermionFieldF;
FermionOperator<ImplD> & NumOpD;
FermionOperator<ImplD> & DenOpD;
FermionOperator<ImplF> & NumOpF;
FermionOperator<ImplF> & DenOpF;
Integer ReliableUpdateFreq;
protected:
//Allow derived classes to override the multishift CG
virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, FermionFieldD &out){
SchurDifferentiableOperator<ImplD> schurOpD(numerator ? NumOpD : DenOpD);
SchurDifferentiableOperator<ImplF> schurOpF(numerator ? NumOpF : DenOpF);
ConjugateGradientMultiShiftMixedPrec<FermionFieldD, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
msCG(schurOpD, in, out);
}
virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, std::vector<FermionFieldD> &out_elems, FermionFieldD &out){
SchurDifferentiableOperator<ImplD> schurOpD(numerator ? NumOpD : DenOpD);
SchurDifferentiableOperator<ImplF> schurOpF(numerator ? NumOpF : DenOpF);
ConjugateGradientMultiShiftMixedPrec<FermionFieldD, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
msCG(schurOpD, in, out_elems, out);
}
//Allow derived classes to override the gauge import
virtual void ImportGauge(const typename ImplD::GaugeField &Ud){
typename ImplF::GaugeField Uf(NumOpF.GaugeGrid());
precisionChange(Uf, Ud);
NumOpD.ImportGauge(Ud);
DenOpD.ImportGauge(Ud);
NumOpF.ImportGauge(Uf);
DenOpF.ImportGauge(Uf);
}
public:
GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction(FermionOperator<ImplD> &_NumOpD, FermionOperator<ImplD> &_DenOpD,
FermionOperator<ImplF> &_NumOpF, FermionOperator<ImplF> &_DenOpF,
const RationalActionParams & p, Integer _ReliableUpdateFreq
) : GeneralEvenOddRatioRationalPseudoFermionAction<ImplD>(_NumOpD, _DenOpD, p),
ReliableUpdateFreq(_ReliableUpdateFreq), NumOpD(_NumOpD), DenOpD(_DenOpD), NumOpF(_NumOpF), DenOpF(_DenOpF){}
virtual std::string action_name(){return "GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction";}
};
NAMESPACE_END(Grid);
#endif

267
Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h
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@ -40,262 +40,31 @@ NAMESPACE_BEGIN(Grid);
// Here N/D \sim R_{-1/2} ~ (M^dagM)^{-1/2}
template<class Impl>
class OneFlavourEvenOddRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
class OneFlavourEvenOddRatioRationalPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<Impl> {
public:
INHERIT_IMPL_TYPES(Impl);
typedef OneFlavourRationalParams Params;
Params param;
MultiShiftFunction PowerHalf ;
MultiShiftFunction PowerNegHalf;
MultiShiftFunction PowerQuarter;
MultiShiftFunction PowerNegQuarter;
MultiShiftFunction MDPowerNegHalf;
MultiShiftFunction MDPowerQuarter;
private:
FermionOperator<Impl> & NumOp;// the basic operator
FermionOperator<Impl> & DenOp;// the basic operator
FermionField PhiEven; // the pseudo fermion field for this trajectory
FermionField PhiOdd; // the pseudo fermion field for this trajectory
FermionField Noise; // spare noise field for bounds check
static RationalActionParams transcribe(const Params &in){
RationalActionParams out;
out.inv_pow = 2;
out.lo = in.lo;
out.hi = in.hi;
out.MaxIter = in.MaxIter;
out.action_tolerance = out.md_tolerance = in.tolerance;
out.action_degree = out.md_degree = in.degree;
out.precision = in.precision;
out.BoundsCheckFreq = in.BoundsCheckFreq;
return out;
}
public:
OneFlavourEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl> &_NumOp,
FermionOperator<Impl> &_DenOp,
Params & p
) :
NumOp(_NumOp),
DenOp(_DenOp),
PhiOdd (_NumOp.FermionRedBlackGrid()),
PhiEven(_NumOp.FermionRedBlackGrid()),
Noise(_NumOp.FermionRedBlackGrid()),
param(p)
{
AlgRemez remez(param.lo,param.hi,param.precision);
FermionOperator<Impl> &_DenOp,
const Params & p
) :
GeneralEvenOddRatioRationalPseudoFermionAction<Impl>(_NumOp, _DenOp, transcribe(p)){}
// MdagM^(+- 1/2)
std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/2)"<<std::endl;
remez.generateApprox(param.degree,1,2);
PowerHalf.Init(remez,param.tolerance,false);
PowerNegHalf.Init(remez,param.tolerance,true);
MDPowerNegHalf.Init(remez,param.mdtolerance,true);
// MdagM^(+- 1/4)
std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/4)"<<std::endl;
remez.generateApprox(param.degree,1,4);
PowerQuarter.Init(remez,param.tolerance,false);
MDPowerQuarter.Init(remez,param.mdtolerance,false);
PowerNegQuarter.Init(remez,param.tolerance,true);
};
virtual std::string action_name(){
std::stringstream sstream;
sstream<< "OneFlavourEvenOddRatioRationalPseudoFermionAction det("<< DenOp.Mass() << ") / det("<<NumOp.Mass()<<")";
return sstream.str();
}
virtual std::string LogParameters(){
std::stringstream sstream;
sstream << GridLogMessage << "["<<action_name()<<"] Low :" << param.lo << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] High :" << param.hi << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Max iterations :" << param.MaxIter << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Tolerance :" << param.tolerance << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Degree :" << param.degree << std::endl;
sstream << GridLogMessage << "["<<action_name()<<"] Precision :" << param.precision << std::endl;
return sstream.str();
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, 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
//
// P(phi) = e^{- phi^dag (VdagV)^1/4 (MdagM)^-1/2 (VdagV)^1/4 phi}
// = e^{- phi^dag (VdagV)^1/4 (MdagM)^-1/4 (MdagM)^-1/4 (VdagV)^1/4 phi}
//
// Phi = (VdagV)^-1/4 Mdag^{1/4} eta
//
// P(eta) = e^{- eta^dag eta}
//
// e^{x^2/2 sig^2} => sig^2 = 0.5.
//
// So eta should be of width sig = 1/sqrt(2).
RealD scale = std::sqrt(0.5);
FermionField eta(NumOp.FermionGrid());
FermionField etaOdd (NumOp.FermionRedBlackGrid());
FermionField etaEven(NumOp.FermionRedBlackGrid());
FermionField tmp(NumOp.FermionRedBlackGrid());
gaussian(pRNG,eta); eta=eta*scale;
pickCheckerboard(Even,etaEven,eta);
pickCheckerboard(Odd,etaOdd,eta);
Noise = etaOdd;
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
// MdagM^1/4 eta
SchurDifferentiableOperator<Impl> MdagM(DenOp);
ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerQuarter);
msCG_M(MdagM,etaOdd,tmp);
// VdagV^-1/4 MdagM^1/4 eta
SchurDifferentiableOperator<Impl> VdagV(NumOp);
ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerNegQuarter);
msCG_V(VdagV,tmp,PhiOdd);
assert(NumOp.ConstEE() == 1);
assert(DenOp.ConstEE() == 1);
PhiEven = Zero();
};
//////////////////////////////////////////////////////
// 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
//////////////////////////////////////////////////////
virtual RealD S(const GaugeField &U) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField X(NumOp.FermionRedBlackGrid());
FermionField Y(NumOp.FermionRedBlackGrid());
// VdagV^1/4 Phi
SchurDifferentiableOperator<Impl> VdagV(NumOp);
ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
msCG_V(VdagV,PhiOdd,X);
// MdagM^-1/4 VdagV^1/4 Phi
SchurDifferentiableOperator<Impl> MdagM(DenOp);
ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegQuarter);
msCG_M(MdagM,X,Y);
// Randomly apply rational bounds checks.
auto grid = NumOp.FermionGrid();
auto r=rand();
grid->Broadcast(0,r);
if ( (r%param.BoundsCheckFreq)==0 ) {
FermionField gauss(NumOp.FermionRedBlackGrid());
gauss = Noise;
HighBoundCheck(MdagM,gauss,param.hi);
InverseSqrtBoundsCheck(param.MaxIter,param.tolerance*100,MdagM,gauss,PowerNegHalf);
ChebyBoundsCheck(MdagM,Noise,param.lo,param.hi);
}
// Phidag VdagV^1/4 MdagM^-1/4 MdagM^-1/4 VdagV^1/4 Phi
RealD action = norm2(Y);
return action;
};
// 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
//
// Here, M is some 5D operator and V is the Pauli-Villars field
// N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the denom term
//
// Need
// dS_f/dU = chi^dag d[P/Q] N/D P/Q chi
// + chi^dag P/Q d[N/D] P/Q chi
// + chi^dag P/Q N/D d[P/Q] chi
//
// P/Q is expressed as partial fraction expansion:
//
// a0 + \sum_k ak/(V^dagV + bk)
//
// d[P/Q] is then
//
// \sum_k -ak [V^dagV+bk]^{-1} [ dV^dag V + V^dag dV ] [V^dag V + bk]^{-1}
//
// and similar for N/D.
//
// Need
// MpvPhi_k = [Vdag V + bk]^{-1} chi
// MpvPhi = {a0 + \sum_k ak [Vdag V + bk]^{-1} }chi
//
// MfMpvPhi_k = [MdagM+bk]^{-1} MpvPhi
// MfMpvPhi = {a0 + \sum_k ak [Mdag M + bk]^{-1} } MpvPhi
//
// MpvMfMpvPhi_k = [Vdag V + bk]^{-1} MfMpvchi
//
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
const int n_f = MDPowerNegHalf.poles.size();
const int n_pv = MDPowerQuarter.poles.size();
std::vector<FermionField> MpvPhi_k (n_pv,NumOp.FermionRedBlackGrid());
std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionRedBlackGrid());
std::vector<FermionField> MfMpvPhi_k (n_f ,NumOp.FermionRedBlackGrid());
FermionField MpvPhi(NumOp.FermionRedBlackGrid());
FermionField MfMpvPhi(NumOp.FermionRedBlackGrid());
FermionField MpvMfMpvPhi(NumOp.FermionRedBlackGrid());
FermionField Y(NumOp.FermionRedBlackGrid());
GaugeField tmp(NumOp.GaugeGrid());
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
SchurDifferentiableOperator<Impl> VdagV(NumOp);
SchurDifferentiableOperator<Impl> MdagM(DenOp);
ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,MDPowerQuarter);
ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,MDPowerNegHalf);
msCG_V(VdagV,PhiOdd,MpvPhi_k,MpvPhi);
msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
msCG_V(VdagV,MfMpvPhi,MpvMfMpvPhi_k,MpvMfMpvPhi);
RealD ak;
dSdU = Zero();
// With these building blocks
//
// dS/dU =
// \sum_k -ak MfMpvPhi_k^dag [ dM^dag M + M^dag dM ] MfMpvPhi_k (1)
// + \sum_k -ak MpvMfMpvPhi_k^\dag [ dV^dag V + V^dag dV ] MpvPhi_k (2)
// -ak MpvPhi_k^dag [ dV^dag V + V^dag dV ] MpvMfMpvPhi_k (3)
//(1)
for(int k=0;k<n_f;k++){
ak = MDPowerNegHalf.residues[k];
MdagM.Mpc(MfMpvPhi_k[k],Y);
MdagM.MpcDagDeriv(tmp , MfMpvPhi_k[k], Y ); dSdU=dSdU+ak*tmp;
MdagM.MpcDeriv(tmp , Y, MfMpvPhi_k[k] ); dSdU=dSdU+ak*tmp;
}
//(2)
//(3)
for(int k=0;k<n_pv;k++){
ak = MDPowerQuarter.residues[k];
VdagV.Mpc(MpvPhi_k[k],Y);
VdagV.MpcDagDeriv(tmp,MpvMfMpvPhi_k[k],Y); dSdU=dSdU+ak*tmp;
VdagV.MpcDeriv (tmp,Y,MpvMfMpvPhi_k[k]); dSdU=dSdU+ak*tmp;
VdagV.Mpc(MpvMfMpvPhi_k[k],Y); // V as we take Ydag
VdagV.MpcDeriv (tmp,Y, MpvPhi_k[k]); dSdU=dSdU+ak*tmp;
VdagV.MpcDagDeriv(tmp,MpvPhi_k[k], Y); dSdU=dSdU+ak*tmp;
}
//dSdU = Ta(dSdU);
};
virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}
};
NAMESPACE_END(Grid);

2
Grid/qcd/action/pseudofermion/PseudoFermion.h
View File

@ -40,6 +40,8 @@ directory
#include <Grid/qcd/action/pseudofermion/OneFlavourRational.h>
#include <Grid/qcd/action/pseudofermion/OneFlavourRationalRatio.h>
#include <Grid/qcd/action/pseudofermion/OneFlavourEvenOddRational.h>
#include <Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h>
#include <Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h>
#include <Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h>
#include <Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h>

28
Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h
View File

@ -88,15 +88,9 @@ NAMESPACE_BEGIN(Grid);
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
const FermionField &getPhiOdd() const{ return PhiOdd; }
// P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
//
// NumOp == V
// DenOp == M
//
// Take phi_o = Vpcdag^{-1} Mpcdag eta_o ; eta_o = Mpcdag^{-1} Vpcdag Phi
//
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
// P(eta_o) = e^{- eta_o^dag eta_o}
//
// e^{x^2/2 sig^2} => sig^2 = 0.5.
@ -104,12 +98,22 @@ NAMESPACE_BEGIN(Grid);
RealD scale = std::sqrt(0.5);
FermionField eta (NumOp.FermionGrid());
gaussian(pRNG,eta); eta = eta * scale;
refresh(U,eta);
}
void refresh(const GaugeField &U, const FermionField &eta) {
// P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
//
// NumOp == V
// DenOp == M
//
FermionField etaOdd (NumOp.FermionRedBlackGrid());
FermionField etaEven(NumOp.FermionRedBlackGrid());
FermionField tmp (NumOp.FermionRedBlackGrid());
gaussian(pRNG,eta);
pickCheckerboard(Even,etaEven,eta);
pickCheckerboard(Odd,etaOdd,eta);
@ -128,10 +132,6 @@ NAMESPACE_BEGIN(Grid);
// Even det factors
DenOp.MooeeDag(etaEven,tmp);
NumOp.MooeeInvDag(tmp,PhiEven);
PhiOdd =PhiOdd*scale;
PhiEven=PhiEven*scale;
};
//////////////////////////////////////////////////////

12
Grid/qcd/hmc/GenericHMCrunner.h
View File

@ -151,12 +151,22 @@ public:
Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
Resources.GetSerialRNG(),
Resources.GetParallelRNG());
} else if (Parameters.StartingType == "CheckpointStartReseed") {
// Same as CheckpointRestart but reseed the RNGs using the fixed integer seeding used for ColdStart and HotStart
// Useful for creating new evolution streams from an existing stream
// WARNING: Unfortunately because the checkpointer doesn't presently allow us to separately restore the RNG and gauge fields we have to load
// an existing RNG checkpoint first; make sure one is available and named correctly
Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
Resources.GetSerialRNG(),
Resources.GetParallelRNG());
Resources.SeedFixedIntegers();
} else {
// others
std::cout << GridLogError << "Unrecognized StartingType\n";
std::cout
<< GridLogError
<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart, CheckpointStartReseed]\n";
exit(1);
}
}

2
Grid/qcd/hmc/HMCModules.h
View File

@ -80,7 +80,9 @@ public:
std::cout << GridLogError << "Seeds not initialized" << std::endl;
exit(1);
}
std::cout << GridLogMessage << "Reseeding serial RNG with seed vector " << SerialSeeds << std::endl;
sRNG_.SeedFixedIntegers(SerialSeeds);
std::cout << GridLogMessage << "Reseeding parallel RNG with seed vector " << ParallelSeeds << std::endl;
pRNG_->SeedFixedIntegers(ParallelSeeds);
}
};

6
Grid/qcd/hmc/integrators/Integrator.h
View File

@ -334,15 +334,19 @@ public:
void refresh(Field& U, GridSerialRNG & sRNG, GridParallelRNG& pRNG)
{
assert(P.Grid() == U.Grid());
std::cout << GridLogIntegrator << "Integrator refresh\n";
std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
FieldImplementation::generate_momenta(P, 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