Merge branch 'feature/ddhmc' of https://github.com/paboyle/Grid into feature/ddhmc

Can simplify and make specific if performance matters

Grid/DisableWarnings.h

@@ -34,6 +34,9 @@ directory
 
 #if defined __GNUC__ && __GNUC__>=6
 #pragma GCC diagnostic ignored "-Wignored-attributes"
+#endif
+#if defined __GNUC__ && __GNUC__>=6
+#pragma GCC diagnostic ignored "-Wpsabi"
 #endif
 
  //disables and intel compiler specific warning (in json.hpp)

Grid/GridQCDcore.h

@@ -36,6 +36,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridCore.h>
 #include <Grid/qcd/QCD.h>
 #include <Grid/qcd/spin/Spin.h>
+#include <Grid/qcd/gparity/Gparity.h>
 #include <Grid/qcd/utils/Utils.h>
 #include <Grid/qcd/representations/Representations.h>
 NAMESPACE_CHECK(GridQCDCore);

Grid/algorithms/Algorithms.h

@@ -54,6 +54,7 @@ NAMESPACE_CHECK(BiCGSTAB);
 #include <Grid/algorithms/iterative/SchurRedBlack.h>
 #include <Grid/algorithms/iterative/ConjugateGradientMultiShift.h>
 #include <Grid/algorithms/iterative/ConjugateGradientMixedPrec.h>
+#include <Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h>
 #include <Grid/algorithms/iterative/BiCGSTABMixedPrec.h>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>

Grid/algorithms/LinearOperator.h

@@ -223,9 +223,14 @@ class SchurOperatorBase :  public LinearOperatorBase<Field> {
     Mpc(in,tmp);
     MpcDag(tmp,out);
   }
+  virtual  void MpcMpcDag(const Field &in, Field &out) {
+    Field tmp(in.Grid());
+    tmp.Checkerboard() = in.Checkerboard();
+    MpcDag(in,tmp);
+    Mpc(tmp,out);
+  }
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    out.Checkerboard() = in.Checkerboard();
+    HermOp(in,out);
-    MpcDagMpc(in,out);
     ComplexD dot= innerProduct(in,out); 
     n1=real(dot);
     n2=norm2(out);
@@ -276,6 +281,16 @@ template<class Matrix,class Field>
       axpy(out,-1.0,tmp,out);
     }
 };
+// Mpc MpcDag system presented as the HermOp
+template<class Matrix,class Field>
+class SchurDiagMooeeDagOperator :  public SchurDiagMooeeOperator<Matrix,Field> {
+ public:
+  virtual void HermOp(const Field &in, Field &out){
+    out.Checkerboard() = in.Checkerboard();
+    this->MpcMpcDag(in,out);
+  }
+  SchurDiagMooeeDagOperator (Matrix &Mat): SchurDiagMooeeOperator<Matrix,Field>(Mat){};
+};
 template<class Matrix,class Field>
   class SchurDiagOneOperator :  public SchurOperatorBase<Field> {
  protected:

Grid/algorithms/approx/Chebyshev.h

@@ -292,6 +292,7 @@ public:
 template<class Field>
 class ChebyshevLanczos : public Chebyshev<Field> {
 private:
+
   std::vector<RealD> Coeffs;
   int order;
   RealD alpha;

Grid/algorithms/iterative/ConjugateGradient.h

@@ -102,7 +102,7 @@ public:
     // Check if guess is really REALLY good :)
     if (cp <= rsq) {
       TrueResidual = std::sqrt(a/ssq);
-      std::cout << GridLogMessage << "ConjugateGradient guess is converged already " << std::endl;
+      std::cout << GridLogMessage << "ConjugateGradient guess is converged already "<<TrueResidual<< " tol "<< Tolerance<< std::endl;
       IterationsToComplete = 0;	
       return;
     }

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -48,19 +48,29 @@ NAMESPACE_BEGIN(Grid);
     Integer TotalInnerIterations; //Number of inner CG iterations
     Integer TotalOuterIterations; //Number of restarts
     Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+    RealD TrueResidual;
 
     //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
     LinearFunction<FieldF> *guesser;
-    
+
-    MixedPrecisionConjugateGradient(RealD tol, 
+    MixedPrecisionConjugateGradient(RealD Tol,
+				    Integer maxinnerit, 
+				    Integer maxouterit, 
+				    GridBase* _sp_grid, 
+				    LinearOperatorBase<FieldF> &_Linop_f, 
+				    LinearOperatorBase<FieldD> &_Linop_d) :
+      MixedPrecisionConjugateGradient(Tol, Tol, maxinnerit, maxouterit, _sp_grid, _Linop_f, _Linop_d) {};
+
+    MixedPrecisionConjugateGradient(RealD Tol,
+				    RealD InnerTol,
 				    Integer maxinnerit, 
 				    Integer maxouterit, 
 				    GridBase* _sp_grid, 
 				    LinearOperatorBase<FieldF> &_Linop_f, 
 				    LinearOperatorBase<FieldD> &_Linop_d) :
       Linop_f(_Linop_f), Linop_d(_Linop_d),
-      Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
+      Tolerance(Tol), InnerTolerance(InnerTol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
-      OuterLoopNormMult(100.), guesser(NULL){ };
+      OuterLoopNormMult(100.), guesser(NULL){ assert(InnerTol < 1.0e-1);};
 
     void useGuesser(LinearFunction<FieldF> &g){
       guesser = &g;
@@ -79,6 +89,11 @@ NAMESPACE_BEGIN(Grid);
     RealD stop = src_norm * Tolerance*Tolerance;
 
     GridBase* DoublePrecGrid = src_d_in.Grid();
+
+    //Generate precision change workspaces
+    precisionChangeWorkspace wk_dp_from_sp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace wk_sp_from_dp(SinglePrecGrid, DoublePrecGrid);
+
     FieldD tmp_d(DoublePrecGrid);
     tmp_d.Checkerboard() = cb;
     
@@ -119,7 +134,7 @@ NAMESPACE_BEGIN(Grid);
       while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
       PrecChangeTimer.Start();
-      precisionChange(src_f, src_d);
+      precisionChange(src_f, src_d, wk_sp_from_dp);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -137,7 +152,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f);
+      precisionChange(tmp_d, sol_f, wk_dp_from_sp);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -149,6 +164,7 @@ NAMESPACE_BEGIN(Grid);
     ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
     CG_d(Linop_d, src_d_in, sol_d);
     TotalFinalStepIterations = CG_d.IterationsToComplete;
+    TrueResidual = CG_d.TrueResidual;
 
     TotalTimer.Stop();
     std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -52,7 +52,7 @@ public:
   MultiShiftFunction shifts;
   std::vector<RealD> TrueResidualShift;
 
-  ConjugateGradientMultiShift(Integer maxit,MultiShiftFunction &_shifts) : 
+  ConjugateGradientMultiShift(Integer maxit, const MultiShiftFunction &_shifts) : 
     MaxIterations(maxit),
     shifts(_shifts)
   { 
@@ -182,6 +182,9 @@ public:
     for(int s=0;s<nshift;s++) {
       axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
     }
+
+    std::cout << GridLogIterative << "ConjugateGradientMultiShift: initial rn (|src|^2) =" << rn << " qq (|MdagM src|^2) =" << qq << " d ( dot(src, [MdagM + m_0]src) ) =" << d << " c=" << c << std::endl;
+    
   
   ///////////////////////////////////////
   // Timers

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -0,0 +1,411 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly <ckelly@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 GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+#define GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+
+NAMESPACE_BEGIN(Grid);
+
+//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision. 
+//The residual is stored in single precision, but the search directions and solution are stored in double precision. 
+//Every update_freq iterations the residual is corrected in double precision. 
+    
+//For safety the a final regular CG is applied to clean up if necessary
+
+//Linop to add shift to input linop, used in cleanup CG
+namespace ConjugateGradientMultiShiftMixedPrecSupport{
+template<typename Field>
+class ShiftedLinop: public LinearOperatorBase<Field>{
+public:
+  LinearOperatorBase<Field> &linop_base;
+  RealD shift;
+
+  ShiftedLinop(LinearOperatorBase<Field> &_linop_base, RealD _shift): linop_base(_linop_base), shift(_shift){}
+
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); }
+  
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+
+  void HermOp(const Field &in, Field &out){
+    linop_base.HermOp(in, out);
+    axpy(out, shift, in, out);
+  }    
+
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+    HermOp(in,out);
+    ComplexD dot = innerProduct(in,out);
+    n1=real(dot);
+    n2=norm2(out);
+  }
+};
+};
+
+
+template<class FieldD, class FieldF,
+	 typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+	 typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class ConjugateGradientMultiShiftMixedPrec : public OperatorMultiFunction<FieldD>,
+					     public OperatorFunction<FieldD>
+{
+public:                                                
+
+  using OperatorFunction<FieldD>::operator();
+
+  RealD   Tolerance;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  std::vector<int> IterationsToCompleteShift;  // Iterations for this shift
+  int verbose;
+  MultiShiftFunction shifts;
+  std::vector<RealD> TrueResidualShift;
+
+  int ReliableUpdateFreq; //number of iterations between reliable updates
+
+  GridBase* SinglePrecGrid; //Grid for single-precision fields
+  LinearOperatorBase<FieldF> &Linop_f; //single precision
+
+  ConjugateGradientMultiShiftMixedPrec(Integer maxit, const MultiShiftFunction &_shifts,
+				       GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
+				       int _ReliableUpdateFreq
+				       ) : 
+    MaxIterations(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq)
+  { 
+    verbose=1;
+    IterationsToCompleteShift.resize(_shifts.order);
+    TrueResidualShift.resize(_shifts.order);
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
+  {
+    GridBase *grid = src.Grid();
+    int nshift = shifts.order;
+    std::vector<FieldD> results(nshift,grid);
+    (*this)(Linop,src,results,psi);
+  }
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
+  {
+    int nshift = shifts.order;
+
+    (*this)(Linop,src,results);
+  
+    psi = shifts.norm*src;
+    for(int i=0;i<nshift;i++){
+      psi = psi + shifts.residues[i]*results[i];
+    }
+
+    return;
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
+  { 
+    GridBase *DoublePrecGrid = src_d.Grid();
+    precisionChangeWorkspace wk_f_from_d(SinglePrecGrid, DoublePrecGrid);
+    precisionChangeWorkspace wk_d_from_f(DoublePrecGrid, SinglePrecGrid);
+
+    ////////////////////////////////////////////////////////////////////////
+    // Convenience references to the info stored in "MultiShiftFunction"
+    ////////////////////////////////////////////////////////////////////////
+    int nshift = shifts.order;
+
+    std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
+    std::vector<RealD> &mresidual(shifts.tolerances);
+    std::vector<RealD> alpha(nshift,1.0);
+
+    //Double precision search directions
+    FieldD p_d(DoublePrecGrid);
+    std::vector<FieldD> ps_d(nshift, DoublePrecGrid);// Search directions (double precision)
+
+    FieldD tmp_d(DoublePrecGrid);
+    FieldD r_d(DoublePrecGrid);
+    FieldD mmp_d(DoublePrecGrid);
+
+    assert(psi_d.size()==nshift);
+    assert(mass.size()==nshift);
+    assert(mresidual.size()==nshift);
+  
+    // dynamic sized arrays on stack; 2d is a pain with vector
+    RealD  bs[nshift];
+    RealD  rsq[nshift];
+    RealD  z[nshift][2];
+    int     converged[nshift];
+  
+    const int       primary =0;
+  
+    //Primary shift fields CG iteration
+    RealD a,b,c,d;
+    RealD cp,bp,qq; //prev
+  
+    // Matrix mult fields
+    FieldF r_f(SinglePrecGrid);
+    FieldF p_f(SinglePrecGrid);
+    FieldF tmp_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+    FieldF src_f(SinglePrecGrid);
+    precisionChange(src_f, src_d, wk_f_from_d);
+
+    // Check lightest mass
+    for(int s=0;s<nshift;s++){
+      assert( mass[s]>= mass[primary] );
+      converged[s]=0;
+    }
+  
+    // Wire guess to zero
+    // Residuals "r" are src
+    // First search direction "p" is also src
+    cp = norm2(src_d);
+
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi_d[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      ps_d[s] = src_d;
+    }
+    // r and p for primary
+    r_f=src_f; //residual maintained in single
+    p_f=src_f;
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+  
+    //MdagM+m[0]
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    axpy(mmp_f,mass[0],p_f,mmp_f);
+    RealD rn = norm2(p_f);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_f,b,mmp_f,r_f);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterations;k++){    
+      a = c /cp;
+
+      //Update double precision search direction by residual
+      PrecChangeTimer.Start();
+      precisionChange(r_d, r_f, wk_d_from_f);
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_d[s],a,ps_d[s],r_d);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_d[s],z[s][iz],as,r_d,ps_d[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChange(p_f, p_d, wk_f_from_d); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+
+      cp=c;
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f); 
+      d=real(innerProduct(p_f,mmp_f));    
+      MatrixTimer.Stop();  
+
+      AXPYTimer.Start();
+      axpy(mmp_f,mass[0],p_f,mmp_f);
+      AXPYTimer.Stop();
+      RealD rn = norm2(p_f);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+    
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update double precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_d[ss],-bs[s]*alpha[s],ps_d[s],psi_d[ss]);
+	}
+      }
+
+      //Perform reliable update if necessary; otherwise update residual from single-prec mmp
+      RealD c_f = axpy_norm(r_f,b,mmp_f,r_f);
+      AXPYTimer.Stop();
+
+      c = c_f;
+
+      if(k % ReliableUpdateFreq == 0){
+	//Replace r with true residual
+	MatrixTimer.Start();  
+	Linop_d.HermOp(psi_d[0],mmp_d); 
+	MatrixTimer.Stop();  
+
+	AXPYTimer.Start();
+	axpy(mmp_d,mass[0],psi_d[0],mmp_d);
+
+	RealD c_d = axpy_norm(r_d, -1.0, mmp_d, src_d);
+	AXPYTimer.Stop();
+
+	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_f <<" with |r|^2 = "<<c_d<<std::endl;
+	
+	PrecChangeTimer.Start();
+	precisionChange(r_f, r_d, wk_f_from_d);
+	PrecChangeTimer.Stop();
+	c = c_d;
+      }
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsq[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged ){
+
+	SolverTimer.Stop();
+	std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
+	std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
+      
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrec: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+
+   
+    }
+    // ugly hack
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    //  assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/SchurRedBlack.h

@@ -40,7 +40,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
    *        (-MoeMee^{-1}   1 )   
    * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
    *           ( 0       1                    )
-   * L^{-d}  = ( 1      -Mee^{-dag} Moe^{dag} )
+   * L^{-dag}= ( 1      -Mee^{-dag} Moe^{dag} )
    *           ( 0       1                    )
    *
    * U^-1 = (1   -Mee^{-1} Meo)
@@ -82,7 +82,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
    * c) M_oo^-dag Doo^{dag} Doo Moo^-1 phi_0 = M_oo^-dag (D_oo)^dag L^{-1}  eta_o
    *                              eta_o'     = M_oo^-dag (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
    *                              psi_o = M_oo^-1 phi_o
-   * TODO: Deflation 
+   *
+   *
    */
 namespace Grid {
 
@@ -97,6 +98,7 @@ namespace Grid {
   protected:
     typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
     OperatorFunction<Field> & _HermitianRBSolver;
+    
     int CBfactorise;
     bool subGuess;
     bool useSolnAsInitGuess; // if true user-supplied solution vector is used as initial guess for solver
@@ -219,13 +221,20 @@ namespace Grid {
 	/////////////////////////////////////////////////
 	// Check unprec residual if possible
 	/////////////////////////////////////////////////
-	if ( ! subGuess ) {
+	if ( ! subGuess ) {	  
-	  _Matrix.M(out[b],resid); 
+
+	  if ( this->adjoint() ) _Matrix.Mdag(out[b],resid); 
+	  else                   _Matrix.M(out[b],resid); 
+
 	  resid = resid-in[b];
 	  RealD ns = norm2(in[b]);
 	  RealD nr = norm2(resid);
 	
-	  std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
+	  std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint "<< this->adjoint() << std::endl;
+	  if ( this->adjoint() ) 
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
+	  else                   
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
 	} else {
 	  std::cout<<GridLogMessage<< "SchurRedBlackBase Guess subtracted after solve["<<b<<"] " << std::endl;
 	}
@@ -279,12 +288,21 @@ namespace Grid {
 
       // Verify the unprec residual
       if ( ! subGuess ) {
-        _Matrix.M(out,resid); 
+
+	std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint "<< this->adjoint() << std::endl;
+	
+	if ( this->adjoint() ) _Matrix.Mdag(out,resid); 
+	else                   _Matrix.M(out,resid); 
+
         resid = resid-in;
         RealD ns = norm2(in);
         RealD nr = norm2(resid);
 
-        std::cout<<GridLogMessage << "SchurRedBlackBase solver true unprec resid "<< std::sqrt(nr/ns) << std::endl;
+	  if ( this->adjoint() ) 
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
+	  else                   
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
+
       } else {
         std::cout << GridLogMessage << "SchurRedBlackBase Guess subtracted after solve." << std::endl;
       }
@@ -293,6 +311,7 @@ namespace Grid {
     /////////////////////////////////////////////////////////////
     // Override in derived. 
     /////////////////////////////////////////////////////////////
+    virtual bool adjoint(void) { return false; }
     virtual void RedBlackSource  (Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)                =0;
     virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)          =0;
     virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)                           =0;
@@ -646,6 +665,127 @@ namespace Grid {
         this->_HermitianRBSolver(_OpEO, src_o, sol_o); 
       }
   };
+
+  /*
+   * Red black Schur decomposition
+   *
+   *  M = (Mee Meo) =  (1             0 )   (Mee   0               )  (1 Mee^{-1} Meo)
+   *      (Moe Moo)    (Moe Mee^-1    1 )   (0   Moo-Moe Mee^-1 Meo)  (0   1         )
+   *                =         L                     D                     U
+   *
+   * L^-1 = (1              0 )
+   *        (-MoeMee^{-1}   1 )   
+   * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   *
+   * U^-1 = (1   -Mee^{-1} Meo)
+   *        (0    1           )
+   * U^{dag} = ( 1                 0)
+   *           (Meo^dag Mee^{-dag} 1)
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   *
+   *
+   ***********************
+   *     M^dag psi = eta
+   ***********************
+   *
+   * Really for Mobius: (Wilson - easier to just use gamma 5 hermiticity)
+   *
+   *    Mdag psi     =         Udag  Ddag  Ldag psi = eta
+   *
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   *
+   *
+   * i)                D^dag phi =  (U^{-dag}  eta)
+   *                        eta'_e = eta_e
+   *                        eta'_o = (eta_o - Meo^dag Mee^{-dag} eta_e)
+   * 
+   *      phi_o = D_oo^-dag eta'_o = D_oo^-dag (eta_o - Meo^dag Mee^{-dag} eta_e)
+   *
+   *      phi_e = D_ee^-dag eta'_e = D_ee^-dag eta_e
+   * 
+   * Solve: 
+   *
+   *      D_oo D_oo^dag phi_o = D_oo (eta_o - Meo^dag Mee^{-dag} eta_e)
+   *
+   * ii) 
+   *      phi = L^dag psi => psi = L^-dag phi. 
+   *
+   * L^{-dag} = ( 1      -Mee^{-dag} Moe^{dag} )
+   *            ( 0       1                    )
+   *
+   *   => sol_e = M_ee^-dag * ( src_e - Moe^dag phi_o )...
+   *   => sol_o = phi_o
+   */
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Site diagonal has Mooee on it, but solve the Adjoint system
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagMooeeDagSolve : public SchurRedBlackBase<Field> {
+  public:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+    virtual bool adjoint(void) { return true; }
+    SchurRedBlackDiagMooeeDagSolve(OperatorFunction<Field> &HermitianRBSolver,
+				   const bool initSubGuess = false,
+				   const bool _solnAsInitGuess = false)  
+      : SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
+
+    //////////////////////////////////////////////////////
+    // Override RedBlack specialisation
+    //////////////////////////////////////////////////////
+    virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd ,src_o,src);
+      /////////////////////////////////////////////////////
+      // src_o = (source_o - Moe^dag MeeInvDag source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInvDag(src_e,tmp);  assert(  tmp.Checkerboard() ==Even);
+      _Matrix.MeooeDag   (tmp,Mtmp);   assert( Mtmp.Checkerboard() ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.Checkerboard() ==Odd);     
+
+      // get the right Mpc
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+      _HermOpEO.Mpc(tmp,src_o);     assert(src_o.Checkerboard() ==Odd);
+    }
+    virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
+    {
+      SchurDiagMooeeDagOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); 
+    };
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
+    {
+      SchurDiagMooeeDagOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
+    }
+    virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field  sol_e(grid);
+      Field  tmp(grid);
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-dag * ( src_e - Moe^dag phi_o )...
+      // sol_o = phi_o
+      ///////////////////////////////////////////////////
+      _Matrix.MeooeDag(sol_o,tmp);      assert(tmp.Checkerboard()==Even);
+      tmp = src_e-tmp;                  assert(tmp.Checkerboard()==Even);
+      _Matrix.MooeeInvDag(tmp,sol_e);   assert(sol_e.Checkerboard()==Even);
+      
+      setCheckerboard(sol,sol_e); assert(  sol_e.Checkerboard() ==Even);
+      setCheckerboard(sol,sol_o); assert(  sol_o.Checkerboard() ==Odd );
+    }
+  };
+
 }
 
 #endif

Grid/lattice/Lattice.h

@@ -46,3 +46,4 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/lattice/Lattice_unary.h>
 #include <Grid/lattice/Lattice_transfer.h>
 #include <Grid/lattice/Lattice_basis.h>
+#include <Grid/lattice/Lattice_crc.h>

Grid/lattice/Lattice_crc.h

@@ -0,0 +1,55 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_crc.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1)
+{
+  auto ff = localNorm2(f);
+  if ( mu==-1 ) mu = f.Grid()->Nd()-1;
+  typedef typename vobj::tensor_reduced normtype;
+  typedef typename normtype::scalar_object scalar;
+  std::vector<scalar> sff;
+  sliceSum(ff,sff,mu);
+  for(int t=0;t<sff.size();t++){
+    std::cout << s<<" "<<t<<" "<<sff[t]<<std::endl;
+  }
+}
+
+template<class vobj> uint32_t crc(Lattice<vobj> & buf)
+{
+  autoView( buf_v , buf, CpuRead);
+  return ::crc32(0L,(unsigned char *)&buf_v[0],(size_t)sizeof(vobj)*buf.oSites());
+}
+
+#define CRC(U) std::cout << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
+
+NAMESPACE_END(Grid);
+
+

Grid/lattice/Lattice_rng.h

@@ -32,8 +32,9 @@
 #include <random>
 
 #ifdef RNG_SITMO
-#include <Grid/sitmo_rng/sitmo_prng_engine.hpp>
+#include <Grid/random/sitmo_prng_engine.hpp>
 #endif 
+#include <Grid/random/gaussian.h>
 
 #if defined(RNG_SITMO)
 #define RNG_FAST_DISCARD
@@ -142,7 +143,7 @@ public:
 
   std::vector<RngEngine>                             _generators;
   std::vector<std::uniform_real_distribution<RealD> > _uniform;
-  std::vector<std::normal_distribution<RealD> >       _gaussian;
+  std::vector<Grid::gaussian_distribution<RealD> >    _gaussian;
   std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
   std::vector<std::uniform_int_distribution<uint32_t> > _uid;
 
@@ -243,7 +244,7 @@ public:
   GridSerialRNG() : GridRNGbase() {
     _generators.resize(1);
     _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(1,std::normal_distribution<RealD>(0.0,1.0) );
+    _gaussian.resize(1,gaussian_distribution<RealD>(0.0,1.0) );
     _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
   }
@@ -357,7 +358,7 @@ public:
 
     _generators.resize(_vol);
     _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(_vol,std::normal_distribution<RealD>(0.0,1.0) );
+    _gaussian.resize(_vol,gaussian_distribution<RealD>(0.0,1.0) );
     _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
   }

Grid/lattice/Lattice_transfer.h

@@ -785,7 +785,7 @@ void ExtractSliceLocal(Lattice<vobj> &lowDim,const Lattice<vobj> & higherDim,int
 
 
 template<class vobj>
-void Replicate(Lattice<vobj> &coarse,Lattice<vobj> & fine)
+void Replicate(const Lattice<vobj> &coarse,Lattice<vobj> & fine)
 {
   typedef typename vobj::scalar_object sobj;
 
@@ -1010,54 +1010,96 @@ vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   });
 }
 
-//Convert a Lattice from one precision to another
+//The workspace for a precision change operation allowing for the reuse of the mapping to save time on subsequent calls
-template<class VobjOut, class VobjIn>
+class precisionChangeWorkspace{
-void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+  std::pair<Integer,Integer>* fmap_device; //device pointer
-{
+public:
-  assert(out.Grid()->Nd() == in.Grid()->Nd());
+  precisionChangeWorkspace(GridBase *out_grid, GridBase *in_grid){
-  for(int d=0;d<out.Grid()->Nd();d++){
+    //Build a map between the sites and lanes of the output field and the input field as we cannot use the Grids on the device
-    assert(out.Grid()->FullDimensions()[d] == in.Grid()->FullDimensions()[d]);
+    assert(out_grid->Nd() == in_grid->Nd());
-  }
+    for(int d=0;d<out_grid->Nd();d++){
-  out.Checkerboard() = in.Checkerboard();
+      assert(out_grid->FullDimensions()[d] == in_grid->FullDimensions()[d]);
-  GridBase *in_grid=in.Grid();
-  GridBase *out_grid = out.Grid();
-
-  typedef typename VobjOut::scalar_object SobjOut;
-  typedef typename VobjIn::scalar_object SobjIn;
-
-  int ndim = out.Grid()->Nd();
-  int out_nsimd = out_grid->Nsimd();
-    
-  std::vector<Coordinate > out_icoor(out_nsimd);
-      
-  for(int lane=0; lane < out_nsimd; lane++){
-    out_icoor[lane].resize(ndim);
-    out_grid->iCoorFromIindex(out_icoor[lane], lane);
-  }
-        
-  std::vector<SobjOut> in_slex_conv(in_grid->lSites());
-  unvectorizeToLexOrdArray(in_slex_conv, in);
-    
-  autoView( out_v , out, CpuWrite);
-  thread_for(out_oidx,out_grid->oSites(),{
-    Coordinate out_ocoor(ndim);
-    out_grid->oCoorFromOindex(out_ocoor, out_oidx);
-
-    ExtractPointerArray<SobjOut> ptrs(out_nsimd);      
-
-    Coordinate lcoor(out_grid->Nd());
-      
-    for(int lane=0; lane < out_nsimd; lane++){
-      for(int mu=0;mu<ndim;mu++)
-	lcoor[mu] = out_ocoor[mu] + out_grid->_rdimensions[mu]*out_icoor[lane][mu];
-	
-      int llex; Lexicographic::IndexFromCoor(lcoor, llex, out_grid->_ldimensions);
-      ptrs[lane] = &in_slex_conv[llex];
     }
-    merge(out_v[out_oidx], ptrs, 0);
+    int Nsimd_out = out_grid->Nsimd();
-  });
+
+    std::vector<Coordinate> out_icorrs(out_grid->Nsimd()); //reuse these
+    for(int lane=0; lane < out_grid->Nsimd(); lane++)
+      out_grid->iCoorFromIindex(out_icorrs[lane], lane);
+  
+    std::vector<std::pair<Integer,Integer> > fmap_host(out_grid->lSites()); //lsites = osites*Nsimd
+    thread_for(out_oidx,out_grid->oSites(),{
+	Coordinate out_ocorr; 
+	out_grid->oCoorFromOindex(out_ocorr, out_oidx);
+      
+	Coordinate lcorr; //the local coordinate (common to both in and out as full coordinate)
+	for(int out_lane=0; out_lane < Nsimd_out; out_lane++){
+	  out_grid->InOutCoorToLocalCoor(out_ocorr, out_icorrs[out_lane], lcorr);
+	
+	  //int in_oidx = in_grid->oIndex(lcorr), in_lane = in_grid->iIndex(lcorr);
+	  //Note oIndex and OcorrFromOindex (and same for iIndex) are not inverse for checkerboarded lattice, the former coordinates being defined on the full lattice and the latter on the reduced lattice
+	  //Until this is fixed we need to circumvent the problem locally. Here I will use the coordinates defined on the reduced lattice for simplicity
+	  int in_oidx = 0, in_lane = 0;
+	  for(int d=0;d<in_grid->_ndimension;d++){
+	    in_oidx += in_grid->_ostride[d] * ( lcorr[d] % in_grid->_rdimensions[d] );
+	    in_lane += in_grid->_istride[d] * ( lcorr[d] / in_grid->_rdimensions[d] );
+	  }
+	  fmap_host[out_lane + Nsimd_out*out_oidx] = std::pair<Integer,Integer>( in_oidx, in_lane );
+	}
+      });
+
+    //Copy the map to the device (if we had a way to tell if an accelerator is in use we could avoid this copy for CPU-only machines)
+    size_t fmap_bytes = out_grid->lSites() * sizeof(std::pair<Integer,Integer>);
+    fmap_device = (std::pair<Integer,Integer>*)acceleratorAllocDevice(fmap_bytes);
+    acceleratorCopyToDevice(fmap_host.data(), fmap_device, fmap_bytes); 
+  }
+
+  //Prevent moving or copying
+  precisionChangeWorkspace(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace(precisionChangeWorkspace &&r) = delete;
+  precisionChangeWorkspace &operator=(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace &operator=(precisionChangeWorkspace &&r) = delete;
+  
+  std::pair<Integer,Integer> const* getMap() const{ return fmap_device; }
+
+  ~precisionChangeWorkspace(){
+    acceleratorFreeDevice(fmap_device);
+  }
+};
+
+
+//Convert a lattice of one precision to another. The input workspace contains the mapping data.
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, const precisionChangeWorkspace &workspace){
+  static_assert( std::is_same<typename VobjOut::DoublePrecision, typename VobjIn::DoublePrecision>::value == 1, "copyLane: tensor types must be the same" ); //if tensor types are same the DoublePrecision type must be the same
+
+  out.Checkerboard() = in.Checkerboard();
+  constexpr int Nsimd_out = VobjOut::Nsimd();
+
+  std::pair<Integer,Integer> const* fmap_device = workspace.getMap();
+
+  //Do the copy/precision change
+  autoView( out_v , out, AcceleratorWrite);
+  autoView( in_v , in, AcceleratorRead);
+
+  accelerator_for(out_oidx, out.Grid()->oSites(), 1,{
+      std::pair<Integer,Integer> const* fmap_osite = fmap_device + out_oidx*Nsimd_out;
+      for(int out_lane=0; out_lane < Nsimd_out; out_lane++){      
+	int in_oidx = fmap_osite[out_lane].first;
+	int in_lane = fmap_osite[out_lane].second;
+	copyLane(out_v[out_oidx], out_lane, in_v[in_oidx], in_lane);
+      }
+    });
 }
 
+//Convert a Lattice from one precision to another
+//Generate the workspace in place; if multiple calls with the same mapping are performed, consider pregenerating the workspace and reusing
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
+  precisionChangeWorkspace workspace(out.Grid(), in.Grid());
+  precisionChange(out, in, workspace);
+}
+
+
 ////////////////////////////////////////////////////////////////////////////////
 // Communicate between grids
 ////////////////////////////////////////////////////////////////////////////////

Grid/log/Log.cc

@@ -69,6 +69,7 @@ GridLogger GridLogDebug  (1, "Debug", GridLogColours, "PURPLE");
 GridLogger GridLogPerformance(1, "Performance", GridLogColours, "GREEN");
 GridLogger GridLogIterative  (1, "Iterative", GridLogColours, "BLUE");
 GridLogger GridLogIntegrator (1, "Integrator", GridLogColours, "BLUE");
+GridLogger GridLogHMC (1, "HMC", GridLogColours, "BLUE");
 
 void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogError.Active(0);
@@ -79,6 +80,7 @@ void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogPerformance.Active(0);
   GridLogIntegrator.Active(1);
   GridLogColours.Active(0);
+  GridLogHMC.Active(1);
 
   for (int i = 0; i < logstreams.size(); i++) {
     if (logstreams[i] == std::string("Error"))       GridLogError.Active(1);
@@ -87,7 +89,8 @@ void GridLogConfigure(std::vector<std::string> &logstreams) {
     if (logstreams[i] == std::string("Iterative"))   GridLogIterative.Active(1);
     if (logstreams[i] == std::string("Debug"))       GridLogDebug.Active(1);
     if (logstreams[i] == std::string("Performance")) GridLogPerformance.Active(1);
-    if (logstreams[i] == std::string("Integrator"))  GridLogIntegrator.Active(1);
+    if (logstreams[i] == std::string("NoIntegrator"))  GridLogIntegrator.Active(0);
+    if (logstreams[i] == std::string("NoHMC"))         GridLogHMC.Active(0);
     if (logstreams[i] == std::string("Colours"))     GridLogColours.Active(1);
   }
 }

Grid/log/Log.h

@@ -182,6 +182,7 @@ extern GridLogger GridLogDebug  ;
 extern GridLogger GridLogPerformance;
 extern GridLogger GridLogIterative  ;
 extern GridLogger GridLogIntegrator  ;
+extern GridLogger GridLogHMC;
 extern Colours    GridLogColours;
 
 std::string demangle(const char* name) ;

Grid/parallelIO/NerscIO.h

@@ -39,9 +39,11 @@ using namespace Grid;
 ////////////////////////////////////////////////////////////////////////////////
 class NerscIO : public BinaryIO { 
 public:
-
   typedef Lattice<vLorentzColourMatrixD> GaugeField;
 
+  // Enable/disable exiting if the plaquette in the header does not match the value computed (default true)
+  static bool & exitOnReadPlaquetteMismatch(){ static bool v=true; return v; }
+
   static inline void truncate(std::string file){
     std::ofstream fout(file,std::ios::out);
   }
@@ -198,7 +200,7 @@ public:
       std::cerr << " nersc_csum  " <<std::hex<< nersc_csum << " " << header.checksum<< std::dec<< std::endl;
       exit(0);
     }
-    assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
+    if(exitOnReadPlaquetteMismatch()) assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
     assert(fabs(clone.link_trace-header.link_trace) < 1.0e-6 );
     assert(nersc_csum == header.checksum );
       

Grid/qcd/QCD.h

@@ -63,6 +63,7 @@ static constexpr int Ngp=2; // gparity index range
 #define ColourIndex  (2)
 #define SpinIndex    (1)
 #define LorentzIndex (0)
+#define GparityFlavourIndex (0)
 
 // Also should make these a named enum type
 static constexpr int DaggerNo=0;
@@ -87,6 +88,8 @@ template<typename T> struct isCoarsened {
 template <typename T> using IfCoarsened    = Invoke<std::enable_if< isCoarsened<T>::value,int> > ;
 template <typename T> using IfNotCoarsened = Invoke<std::enable_if<!isCoarsened<T>::value,int> > ;
 
+const int GparityFlavourTensorIndex = 3; //TensorLevel counts from the bottom!
+
 // ChrisK very keen to add extra space for Gparity doubling.
 //
 // Also add domain wall index, in a way where Wilson operator 
@@ -101,6 +104,7 @@ template<typename vtype> using iSpinMatrix                = iScalar<iMatrix<iSca
 template<typename vtype> using iColourMatrix              = iScalar<iScalar<iMatrix<vtype, Nc> > > ;
 template<typename vtype> using iSpinColourMatrix          = iScalar<iMatrix<iMatrix<vtype, Nc>, Ns> >;
 template<typename vtype> using iLorentzColourMatrix       = iVector<iScalar<iMatrix<vtype, Nc> >, Nd > ;
+template<typename vtype> using iLorentzVector             = iVector<iScalar<iScalar<vtype> >, Nd > ;
 template<typename vtype> using iDoubleStoredColourMatrix  = iVector<iScalar<iMatrix<vtype, Nc> >, Nds > ;
 template<typename vtype> using iSpinVector                = iScalar<iVector<iScalar<vtype>, Ns> >;
 template<typename vtype> using iColourVector              = iScalar<iScalar<iVector<vtype, Nc> > >;
@@ -110,8 +114,10 @@ template<typename vtype> using iHalfSpinColourVector      = iScalar<iVector<iVec
     template<typename vtype> using iSpinColourSpinColourMatrix  = iScalar<iMatrix<iMatrix<iMatrix<iMatrix<vtype, Nc>, Ns>, Nc>, Ns> >;
 
 
+template<typename vtype> using iGparityFlavourVector                = iVector<iScalar<iScalar<vtype> >, Ngp>;
 template<typename vtype> using iGparitySpinColourVector       = iVector<iVector<iVector<vtype, Nc>, Ns>, Ngp >;
 template<typename vtype> using iGparityHalfSpinColourVector   = iVector<iVector<iVector<vtype, Nc>, Nhs>, Ngp >;
+template<typename vtype> using iGparityFlavourMatrix = iMatrix<iScalar<iScalar<vtype> >, Ngp>;
 
 // Spin matrix
 typedef iSpinMatrix<Complex  >          SpinMatrix;
@@ -158,7 +164,16 @@ typedef iSpinColourSpinColourMatrix<vComplex >    vSpinColourSpinColourMatrix;
 typedef iSpinColourSpinColourMatrix<vComplexF>    vSpinColourSpinColourMatrixF;
 typedef iSpinColourSpinColourMatrix<vComplexD>    vSpinColourSpinColourMatrixD;
 
-// LorentzColour
+// LorentzVector
+typedef iLorentzVector<Complex  > LorentzVector;
+typedef iLorentzVector<ComplexF > LorentzVectorF;
+typedef iLorentzVector<ComplexD > LorentzVectorD;
+
+typedef iLorentzVector<vComplex > vLorentzVector;
+typedef iLorentzVector<vComplexF> vLorentzVectorF;
+typedef iLorentzVector<vComplexD> vLorentzVectorD;
+
+// LorentzColourMatrix
 typedef iLorentzColourMatrix<Complex  > LorentzColourMatrix;
 typedef iLorentzColourMatrix<ComplexF > LorentzColourMatrixF;
 typedef iLorentzColourMatrix<ComplexD > LorentzColourMatrixD;
@@ -176,6 +191,16 @@ typedef iDoubleStoredColourMatrix<vComplex > vDoubleStoredColourMatrix;
 typedef iDoubleStoredColourMatrix<vComplexF> vDoubleStoredColourMatrixF;
 typedef iDoubleStoredColourMatrix<vComplexD> vDoubleStoredColourMatrixD;
 
+//G-parity flavour matrix
+typedef iGparityFlavourMatrix<Complex> GparityFlavourMatrix;
+typedef iGparityFlavourMatrix<ComplexF> GparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<ComplexD> GparityFlavourMatrixD;
+
+typedef iGparityFlavourMatrix<vComplex> vGparityFlavourMatrix;
+typedef iGparityFlavourMatrix<vComplexF> vGparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<vComplexD> vGparityFlavourMatrixD;
+
+
 // Spin vector
 typedef iSpinVector<Complex >           SpinVector;
 typedef iSpinVector<ComplexF>           SpinVectorF;
@@ -220,6 +245,16 @@ typedef iHalfSpinColourVector<ComplexD> HalfSpinColourVectorD;
 typedef iHalfSpinColourVector<vComplex > vHalfSpinColourVector;
 typedef iHalfSpinColourVector<vComplexF> vHalfSpinColourVectorF;
 typedef iHalfSpinColourVector<vComplexD> vHalfSpinColourVectorD;
+
+//G-parity flavour vector
+typedef iGparityFlavourVector<Complex >         GparityFlavourVector;
+typedef iGparityFlavourVector<ComplexF>         GparityFlavourVectorF;
+typedef iGparityFlavourVector<ComplexD>         GparityFlavourVectorD;
+
+typedef iGparityFlavourVector<vComplex >         vGparityFlavourVector;
+typedef iGparityFlavourVector<vComplexF>         vGparityFlavourVectorF;
+typedef iGparityFlavourVector<vComplexD>         vGparityFlavourVectorD;
+
     
 // singlets
 typedef iSinglet<Complex >         TComplex;     // FIXME This is painful. Tensor singlet complex type.
@@ -263,6 +298,10 @@ typedef Lattice<vLorentzColourMatrix>  LatticeLorentzColourMatrix;
 typedef Lattice<vLorentzColourMatrixF> LatticeLorentzColourMatrixF;
 typedef Lattice<vLorentzColourMatrixD> LatticeLorentzColourMatrixD;
 
+typedef Lattice<vLorentzVector>  LatticeLorentzVector;
+typedef Lattice<vLorentzVectorF> LatticeLorentzVectorF;
+typedef Lattice<vLorentzVectorD> LatticeLorentzVectorD;
+
 // DoubleStored gauge field
 typedef Lattice<vDoubleStoredColourMatrix>  LatticeDoubleStoredColourMatrix;
 typedef Lattice<vDoubleStoredColourMatrixF> LatticeDoubleStoredColourMatrixF;

Grid/qcd/action/Action.h

@@ -30,8 +30,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_QCD_ACTION_H
+#pragma once
-#define GRID_QCD_ACTION_H
 
 ////////////////////////////////////////////
 // Abstract base interface
@@ -51,4 +50,4 @@ NAMESPACE_CHECK(Fermion);
 #include <Grid/qcd/action/pseudofermion/PseudoFermion.h>
 NAMESPACE_CHECK(PseudoFermion);
 
-#endif
+

Grid/qcd/action/ActionBase.h

@@ -40,6 +40,29 @@ class Action
 
 public:
   bool is_smeared = false;
+  RealD deriv_norm_sum;
+  RealD deriv_max_sum;
+  int   deriv_num;
+  RealD deriv_us;
+  RealD S_us;
+  RealD refresh_us;
+  void  reset_timer(void)        {
+    deriv_us = S_us = refresh_us = 0.0;
+    deriv_num=0;
+    deriv_norm_sum = deriv_max_sum=0.0;
+  }
+  void  deriv_log(RealD nrm, RealD max) { deriv_max_sum+=max; deriv_norm_sum+=nrm; deriv_num++;}
+  RealD deriv_max_average(void)         { return deriv_max_sum/deriv_num; };
+  RealD deriv_norm_average(void)        { return deriv_norm_sum/deriv_num; };
+  RealD deriv_timer(void)        { return deriv_us; };
+  RealD S_timer(void)            { return deriv_us; };
+  RealD refresh_timer(void)      { return deriv_us; };
+  void deriv_timer_start(void)   { deriv_us-=usecond(); }
+  void deriv_timer_stop(void)    { deriv_us+=usecond(); }
+  void refresh_timer_start(void) { refresh_us-=usecond(); }
+  void refresh_timer_stop(void)  { refresh_us+=usecond(); }
+  void S_timer_start(void)       { S_us-=usecond(); }
+  void S_timer_stop(void)        { S_us+=usecond(); }
   // Heatbath?
   virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions
   virtual RealD S(const GaugeField& U) = 0;                             // evaluate the action

Grid/qcd/action/ActionCore.h

@@ -58,6 +58,8 @@ NAMESPACE_CHECK(Scalar);
 ////////////////////////////////////////////
 // Utility functions
 ////////////////////////////////////////////
+#include <Grid/qcd/action/domains/Domains.h>
+
 #include <Grid/qcd/utils/Metric.h>
 NAMESPACE_CHECK(Metric);
 #include <Grid/qcd/utils/CovariantLaplacian.h>

Grid/qcd/action/ActionParams.h

@@ -36,28 +36,34 @@ NAMESPACE_BEGIN(Grid);
 
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
-  Coordinate twists;
+  Coordinate twists; //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
-  GparityWilsonImplParams() : twists(Nd, 0) {};
+                     //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+  bool locally_periodic;
+  GparityWilsonImplParams() : twists(Nd, 0), locally_periodic(false) {};
 };
   
 struct WilsonImplParams {
   bool overlapCommsCompute;
+  bool locally_periodic;
   AcceleratorVector<Real,Nd> twist_n_2pi_L;
   AcceleratorVector<Complex,Nd> boundary_phases;
   WilsonImplParams()  {
     boundary_phases.resize(Nd, 1.0);
       twist_n_2pi_L.resize(Nd, 0.0);
+      locally_periodic = false;
   };
   WilsonImplParams(const AcceleratorVector<Complex,Nd> phi) : boundary_phases(phi), overlapCommsCompute(false) {
     twist_n_2pi_L.resize(Nd, 0.0);
+    locally_periodic = false;
   }
 };
 
 struct StaggeredImplParams {
-  StaggeredImplParams()  {};
+  bool locally_periodic;
+  StaggeredImplParams() : locally_periodic(false) {};
 };
   
-  struct OneFlavourRationalParams : Serializable {
+struct OneFlavourRationalParams : Serializable {
     GRID_SERIALIZABLE_CLASS_MEMBERS(OneFlavourRationalParams, 
 				    RealD, lo, 
 				    RealD, hi, 
@@ -85,6 +91,50 @@ struct StaggeredImplParams {
         precision(_precision),
         BoundsCheckFreq(_BoundsCheckFreq){};
   };
+
+
+  /*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);
 

Grid/qcd/action/domains/DDHMCFilter.h

@@ -0,0 +1,52 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/DDHMC.h
+
+Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly
+
+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 */
+
+NAMESPACE_BEGIN(Grid);
+////////////////////////////////////////////////////
+// DDHMC filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+
+template<typename MomentaField>
+struct DDHMCFilter: public MomentumFilterBase<MomentaField>
+{
+  Coordinate Block;
+  int Width;
+  
+  DDHMCFilter(const Coordinate &_Block): Block(_Block) {}
+
+  void applyFilter(MomentaField &P) const override
+  {
+    DomainDecomposition Domains(Block);
+    Domains.ProjectDDHMC(P);
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/domains/DirichletFilter.h

@@ -0,0 +1,98 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/momentum/DirichletFilter.h
+
+Copyright (C) 2021
+
+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 */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+#include <Grid/qcd/action/domains/DomainDecomposition.h>
+
+NAMESPACE_BEGIN(Grid);
+
+
+template<typename MomentaField>
+struct DirichletFilter: public MomentumFilterBase<MomentaField>
+{
+  Coordinate Block;
+  
+  DirichletFilter(const Coordinate &_Block): Block(_Block) {}
+
+  // Edge detect using domain projectors
+  void applyFilter (MomentaField &U) const override
+  {
+    DomainDecomposition Domains(Block);
+    GridBase *grid = U.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid);   one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger  omega(grid);
+    LatticeInteger  omegabar(grid);
+    LatticeInteger  tmp(grid);
+
+    omega=one;    Domains.ProjectDomain(omega,0);
+    omegabar=one; Domains.ProjectDomain(omegabar,1);
+    
+    LatticeInteger nface(grid); nface=Zero();
+    
+    MomentaField projected(grid); projected=Zero();
+    typedef decltype(PeekIndex<LorentzIndex>(U,0)) MomentaLinkField;
+    MomentaLinkField  Umu(grid);
+    MomentaLinkField   zz(grid); zz=Zero();
+
+    int dims = grid->Nd();
+    Coordinate Global=grid->GlobalDimensions();
+    assert(dims==Nd);
+
+    for(int mu=0;mu<Nd;mu++){
+
+      if ( Block[mu]!=0 ) {
+
+	Umu = PeekIndex<LorentzIndex>(U,mu);
+
+	// Upper face 
+ 	tmp = Cshift(omegabar,mu,1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	Umu = where(face,zz,Umu);
+
+	PokeIndex<LorentzIndex>(U, Umu, mu);
+      }
+    }
+  }
+  
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/domains/DomainDecomposition.h

@@ -0,0 +1,187 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/domains/DomainDecomposition.h
+
+Copyright (C) 2021
+
+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 */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+
+NAMESPACE_BEGIN(Grid);
+
+
+struct DomainDecomposition
+{
+  Coordinate Block;
+  static constexpr RealD factor = 0.6;
+
+  DomainDecomposition(const Coordinate &_Block): Block(_Block){ assert(Block.size()==Nd);};
+  
+  template<class Field>
+  void ProjectDomain(Field &f,Integer domain)
+  {
+    GridBase *grid = f.Grid();
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+
+    Field   zz(grid);  zz = Zero();
+    LatticeInteger coor(grid);
+    LatticeInteger domaincoor(grid);
+    LatticeInteger mask(grid); mask = Integer(1);
+    LatticeInteger zi(grid);     zi = Integer(0);
+    for(int d=0;d<Nd;d++){
+      Integer B= Block[d];
+      if ( B ) {
+	LatticeCoordinate(coor,d+isDWF);
+	domaincoor = mod(coor,B);
+	mask = where(domaincoor==Integer(0),zi,mask);
+	mask = where(domaincoor==Integer(B-1),zi,mask);
+      }
+    }
+    if ( !domain )
+      f = where(mask==Integer(1),f,zz);
+    else 
+      f = where(mask==Integer(0),f,zz);
+  };
+  template<class GaugeField>
+  void ProjectDDHMC(GaugeField &U)
+  {
+    GridBase *grid = U.Grid();
+    Coordinate Global=grid->GlobalDimensions();
+    GaugeField zzz(grid); zzz = Zero();
+    LatticeInteger coor(grid); 
+
+    GaugeField Uorg(grid); Uorg = U;
+    
+    auto zzz_mu = PeekIndex<LorentzIndex>(zzz,0);
+    ////////////////////////////////////////////////////
+    // Zero BDY layers
+    ////////////////////////////////////////////////////
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+	LatticeCoordinate(coor,mu);
+
+
+	////////////////////////////////
+	// OmegaBar - zero all links contained in slice B-1,0 and
+	// mu links connecting to Omega
+	////////////////////////////////
+
+	U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	U_mu = where(mod(coor,B1)==Integer(B1-2),zzz_mu,U_mu); 
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+
+      }
+    }
+   
+    ////////////////////////////////////////////
+    // Omega interior slow the evolution
+    // Tricky as we need to take the smallest of values imposed by each cut
+    // Do them in order or largest to smallest and smallest writes last
+    ////////////////////////////////////////////
+    RealD f= factor;
+#if 0    
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-5),Uorg*f,U); 
+	U = where(mod(coor,B1)==Integer(4)   ,Uorg*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-6),Uorg_mu*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(4)   ,Uorg_mu*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+#endif
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-4),Uorg*f*f,U); 
+	U = where(mod(coor,B1)==Integer(3)   ,Uorg*f*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-5),Uorg_mu*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(3)   ,Uorg_mu*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-3),Uorg*f*f*f,U); 
+	U = where(mod(coor,B1)==Integer(2)   ,Uorg*f*f*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-4),Uorg_mu*f*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(2)   ,Uorg_mu*f*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-2),zzz,U); 
+	U = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+
+	// Perp links
+	U_mu = where(mod(coor,B1)==Integer(B1-3),Uorg_mu*f*f*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(1)   ,Uorg_mu*f*f*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/domains/Domains.h

@@ -0,0 +1,39 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/momentum/Domains.h
+
+Copyright (C) 2021
+
+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 */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+#include <Grid/qcd/action/domains/DomainDecomposition.h>
+#include <Grid/qcd/action/domains/MomentumFilter.h>
+#include <Grid/qcd/action/domains/DirichletFilter.h>
+#include <Grid/qcd/action/domains/DDHMCFilter.h>
+

Grid/qcd/action/domains/MomentumFilter.h

@@ -28,8 +28,7 @@ directory
 *************************************************************************************/
 /*  END LEGAL */
 //--------------------------------------------------------------------
-#ifndef MOMENTUM_FILTER
+#pragma once 
-#define MOMENTUM_FILTER
 
 NAMESPACE_BEGIN(Grid);
 
@@ -37,7 +36,7 @@ NAMESPACE_BEGIN(Grid);
 
 template<typename MomentaField>
 struct MomentumFilterBase{
-  virtual void applyFilter(MomentaField &P) const;
+  virtual void applyFilter(MomentaField &P) const = 0;
 };
 
 //Do nothing
@@ -90,5 +89,3 @@ struct MomentumFilterApplyPhase: public MomentumFilterBase<MomentaField>{
 
 
 NAMESPACE_END(Grid);
-
-#endif

Grid/qcd/action/fermion/CayleyFermion5D.h

@@ -60,6 +60,8 @@ public:
   ///////////////////////////////////////////////////////////////
   virtual void Dminus(const FermionField &psi, FermionField &chi);
   virtual void DminusDag(const FermionField &psi, FermionField &chi);
+  virtual void ImportFourDimPseudoFermion(const FermionField &input,FermionField &imported);
+  virtual void ExportFourDimPseudoFermion(const FermionField &solution,FermionField &exported);
   virtual void ExportPhysicalFermionSolution(const FermionField &solution5d,FermionField &exported4d);
   virtual void ExportPhysicalFermionSource(const FermionField &solution5d, FermionField &exported4d);
   virtual void ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d);

Grid/qcd/action/fermion/DirichletFermionOperator.h

@@ -0,0 +1,185 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/fermion/DirichletFermionOperator.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+////////////////////////////////////////////////////////////////
+// Wrap a fermion operator in Dirichlet BC's at node boundary
+////////////////////////////////////////////////////////////////
+    
+template<class Impl>
+class DirichletFermionOperator : public FermionOperator<Impl>
+{
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+
+  // Data members
+  int CommsMode;
+  Coordinate Block;
+  DirichletFilter<GaugeField> Filter;
+  FermionOperator<Impl> & FermOp;
+  
+  // Constructor / bespoke
+  DirichletFermionOperator(FermionOperator<Impl> & _FermOp, Coordinate &_Block)
+    : FermOp(_FermOp), Block(_Block), Filter(Block)
+  {
+    // Save what the comms mode should be under normal BCs
+    CommsMode = WilsonKernelsStatic::Comms;
+    assert((CommsMode == WilsonKernelsStatic::CommsAndCompute)
+         ||(CommsMode == WilsonKernelsStatic::CommsThenCompute));
+
+    // Check the block size divides local lattice
+    GridBase *grid = FermOp.GaugeGrid();
+
+    int blocks_per_rank = 1;
+    Coordinate LocalDims = grid->LocalDimensions();
+    Coordinate GlobalDims= grid->GlobalDimensions();
+    assert(Block.size()==LocalDims.size());
+
+    for(int d=0;d<LocalDims.size();d++){
+      if (Block[d]&&(Block[d]<=GlobalDims[d])){
+	int r = LocalDims[d] % Block[d];
+	assert(r == 0);
+	blocks_per_rank *= (LocalDims[d] / Block[d]);
+      }
+    }
+    // Even blocks per node required // could be relaxed but inefficient use of hardware as idle nodes in boundary operator R
+    assert( blocks_per_rank != 0);
+
+    // Possible checks that SIMD lanes are used with full occupancy???
+  };
+  virtual ~DirichletFermionOperator(void) = default;
+
+  void DirichletOn(void)   {
+    assert(WilsonKernelsStatic::Comms!= WilsonKernelsStatic::CommsDirichlet);
+    //    WilsonKernelsStatic::Comms = WilsonKernelsStatic::CommsDirichlet;
+  }
+  void DirichletOff(void)  {
+    //    assert(WilsonKernelsStatic::Comms== WilsonKernelsStatic::CommsDirichlet);
+    //    WilsonKernelsStatic::Comms = CommsMode;
+  }
+
+  // Implement the full interface
+  virtual FermionField &tmp(void) { return FermOp.tmp(); };
+
+  virtual GridBase *FermionGrid(void)         { return FermOp.FermionGrid(); }
+  virtual GridBase *FermionRedBlackGrid(void) { return FermOp.FermionRedBlackGrid(); }
+  virtual GridBase *GaugeGrid(void)           { return FermOp.GaugeGrid(); }
+  virtual GridBase *GaugeRedBlackGrid(void)   { return FermOp.GaugeRedBlackGrid(); }
+  
+  // override multiply
+  virtual void  M    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.M(in,out);    DirichletOff();  };
+  virtual void  Mdag (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Mdag(in,out); DirichletOff();  };
+
+  // half checkerboard operaions
+  virtual void   Meooe       (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Meooe(in,out);    DirichletOff(); };  
+  virtual void   MeooeDag    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MeooeDag(in,out); DirichletOff(); };
+  virtual void   Mooee       (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Mooee(in,out);    DirichletOff(); };
+  virtual void   MooeeDag    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeDag(in,out); DirichletOff(); };
+  virtual void   MooeeInv    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeInv(in,out); DirichletOff(); };
+  virtual void   MooeeInvDag (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeInvDag(in,out); DirichletOff(); };
+
+  // non-hermitian hopping term; half cb or both
+  virtual void Dhop  (const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.Dhop(in,out,dag);    DirichletOff(); };
+  virtual void DhopOE(const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.DhopOE(in,out,dag);  DirichletOff(); };
+  virtual void DhopEO(const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.DhopEO(in,out,dag);  DirichletOff(); };
+  virtual void DhopDir(const FermionField &in, FermionField &out,int dir,int disp) { DirichletOn(); FermOp.DhopDir(in,out,dir,disp);  DirichletOff(); };
+
+  // force terms; five routines; default to Dhop on diagonal
+  virtual void MDeriv  (GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MDeriv(mat,U,V,dag);};
+  virtual void MoeDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MoeDeriv(mat,U,V,dag);};
+  virtual void MeoDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MeoDeriv(mat,U,V,dag);};
+  virtual void MooDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MooDeriv(mat,U,V,dag);};
+  virtual void MeeDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MeeDeriv(mat,U,V,dag);};
+
+  virtual void DhopDeriv  (GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDeriv(mat,U,V,dag);};
+  virtual void DhopDerivEO(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDerivEO(mat,U,V,dag);};
+  virtual void DhopDerivOE(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDerivOE(mat,U,V,dag);};
+
+  virtual void  Mdiag  (const FermionField &in, FermionField &out) { Mooee(in,out);};
+  virtual void  Mdir   (const FermionField &in, FermionField &out,int dir,int disp){FermOp.Mdir(in,out,dir,disp);};
+  virtual void  MdirAll(const FermionField &in, std::vector<FermionField> &out)    {FermOp.MdirAll(in,out);};
+
+  ///////////////////////////////////////////////
+  // Updates gauge field during HMC
+  ///////////////////////////////////////////////
+  DoubledGaugeField &GetDoubledGaugeField(void){ return FermOp.GetDoubledGaugeField(); };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return FermOp.GetDoubledGaugeFieldE(); };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return FermOp.GetDoubledGaugeFieldO(); };
+  virtual void ImportGauge(const GaugeField & _U)
+  {
+    GaugeField U = _U;
+    // Filter gauge field to apply Dirichlet
+    Filter.applyFilter(U);
+    FermOp.ImportGauge(U);
+  }
+  ///////////////////////////////////////////////
+  // Physical field import/export
+  ///////////////////////////////////////////////
+  virtual void Dminus(const FermionField &psi, FermionField &chi)    { FermOp.Dminus(psi,chi); }
+  virtual void DminusDag(const FermionField &psi, FermionField &chi) { FermOp.DminusDag(psi,chi); }
+  virtual void ImportFourDimPseudoFermion(const FermionField &input,FermionField &imported)   { FermOp.ImportFourDimPseudoFermion(input,imported);}
+  virtual void ExportFourDimPseudoFermion(const FermionField &solution,FermionField &exported){ FermOp.ExportFourDimPseudoFermion(solution,exported);}
+  virtual void ImportPhysicalFermionSource(const FermionField &input,FermionField &imported)  { FermOp.ImportPhysicalFermionSource(input,imported);}
+  virtual void ImportUnphysicalFermion(const FermionField &input,FermionField &imported)      { FermOp.ImportUnphysicalFermion(input,imported);}
+  virtual void ExportPhysicalFermionSolution(const FermionField &solution,FermionField &exported) {FermOp.ExportPhysicalFermionSolution(solution,exported);}
+  virtual void ExportPhysicalFermionSource(const FermionField &solution,FermionField &exported)   {FermOp.ExportPhysicalFermionSource(solution,exported);}
+  //////////////////////////////////////////////////////////////////////
+  // Should never be used
+  //////////////////////////////////////////////////////////////////////
+  virtual void MomentumSpacePropagator(FermionField &out,const FermionField &in,RealD _m,std::vector<double> twist) { assert(0);};
+  virtual void FreePropagator(const FermionField &in,FermionField &out,RealD mass,std::vector<Complex> boundary,std::vector<double> twist) {assert(0);}
+  virtual void FreePropagator(const FermionField &in,FermionField &out,RealD mass) { assert(0);}
+  virtual void ContractConservedCurrent(PropagatorField &q_in_1,
+					PropagatorField &q_in_2,
+					PropagatorField &q_out,
+					PropagatorField &phys_src,
+					Current curr_type,
+					unsigned int mu)
+  {assert(0);};
+  virtual void SeqConservedCurrent(PropagatorField &q_in, 
+				   PropagatorField &q_out,
+				   PropagatorField &phys_src,
+				   Current curr_type,
+				   unsigned int mu,
+				   unsigned int tmin, 
+				   unsigned int tmax,
+				   ComplexField &lattice_cmplx)
+  {assert(0);};
+      // Only reimplemented in Wilson5D 
+      // Default to just a zero correlation function
+  virtual void ContractJ5q(FermionField &q_in   ,ComplexField &J5q) { J5q=Zero(); };
+  virtual void ContractJ5q(PropagatorField &q_in,ComplexField &J5q) { J5q=Zero(); };
+  
+};
+
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/fermion/Fermion.h

@@ -101,6 +101,12 @@ NAMESPACE_CHECK(WilsonTM5);
 #include <Grid/qcd/action/fermion/PauliVillarsInverters.h>
 #include <Grid/qcd/action/fermion/Reconstruct5Dprop.h>
 #include <Grid/qcd/action/fermion/MADWF.h>
+////////////////////////////////////////////////////////////////////
+// DDHMC related 
+////////////////////////////////////////////////////////////////////
+#include <Grid/qcd/action/fermion/DirichletFermionOperator.h>
+#include <Grid/qcd/action/fermion/SchurFactoredFermionOperator.h>
+
 NAMESPACE_CHECK(DWFutils);
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/FermionCore.h

@@ -25,8 +25,7 @@ Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef  GRID_QCD_FERMION_CORE_H
+#pragma once
-#define  GRID_QCD_FERMION_CORE_H
 
 #include <Grid/GridCore.h>
 #include <Grid/GridQCDcore.h>
@@ -45,4 +44,3 @@ NAMESPACE_CHECK(FermionOperator);
 #include <Grid/qcd/action/fermion/StaggeredKernels.h>        //used by all wilson type fermions
 NAMESPACE_CHECK(Kernels);
 
-#endif

Grid/qcd/action/fermion/FermionOperator.h

@@ -140,6 +140,9 @@ public:
   // Updates gauge field during HMC
   ///////////////////////////////////////////////
   virtual void ImportGauge(const GaugeField & _U)=0;
+  virtual DoubledGaugeField &GetDoubledGaugeField(void)  =0;
+  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void)  =0;
+  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void)  =0;
 
   //////////////////////////////////////////////////////////////////////
   // Conserved currents, either contract at sink or insert sequentially.
@@ -171,6 +174,16 @@ public:
       ///////////////////////////////////////////////
       virtual void Dminus(const FermionField &psi, FermionField &chi)    { chi=psi; }
       virtual void DminusDag(const FermionField &psi, FermionField &chi) { chi=psi; }
+
+      virtual void ImportFourDimPseudoFermion(const FermionField &input,FermionField &imported)
+      {
+	imported = input;
+      };
+      virtual void ExportFourDimPseudoFermion(const FermionField &solution,FermionField &exported)
+      {
+	exported=solution;
+      };
+
       virtual void ImportPhysicalFermionSource(const FermionField &input,FermionField &imported)
       {
 	imported = input;

Grid/qcd/action/fermion/GparityWilsonImpl.h

@@ -30,6 +30,18 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
+/*
+  Policy implementation for G-parity boundary conditions
+
+  Rather than treating the gauge field as a flavored field, the Grid implementation of G-parity treats the gauge field as a regular
+  field with complex conjugate boundary conditions. In order to ensure the second flavor interacts with the conjugate links and the first
+  with the regular links we overload the functionality of doubleStore, whose purpose is to store the gauge field and the barrel-shifted gauge field
+  to avoid communicating links when applying the Dirac operator, such that the double-stored field contains also a flavor index which maps to
+  either the link or the conjugate link. This flavored field is then used by multLink to apply the correct link to a spinor.
+
+  Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
+  mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+ */
 template <class S, class Representation = FundamentalRepresentation, class Options=CoeffReal>
 class GparityWilsonImpl : public ConjugateGaugeImpl<GaugeImplTypes<S, Representation::Dimension> > {
 public:
@@ -113,7 +125,7 @@ public:
     || ((distance== 1)&&(icoor[direction]==1))
     || ((distance==-1)&&(icoor[direction]==0));
 
-    permute_lane = permute_lane && SE->_around_the_world && St.parameters.twists[mmu]; //only if we are going around the world
+    permute_lane = permute_lane && SE->_around_the_world && St.parameters.twists[mmu] && mmu < Nd-1; //only if we are going around the world in a spatial direction
 
     //Apply the links
     int f_upper = permute_lane ? 1 : 0;
@@ -139,10 +151,10 @@ public:
     assert((distance == 1) || (distance == -1));  // nearest neighbour stencil hard code
     assert((sl == 1) || (sl == 2));
 
-    if ( SE->_around_the_world && St.parameters.twists[mmu] ) {
+    //If this site is an global boundary site, perform the G-parity flavor twist
-
+    if ( mmu < Nd-1 && SE->_around_the_world && St.parameters.twists[mmu] ) {
       if ( sl == 2 ) {
-       
+	//Only do the twist for lanes on the edge of the physical node
 	ExtractBuffer<sobj> vals(Nsimd);
 
 	extract(chi,vals);
@@ -197,6 +209,19 @@ public:
     reg = memory;
   }
 
+
+  //Poke 'poke_f0' onto flavor 0 and 'poke_f1' onto flavor 1 in direction mu of the doubled gauge field Uds
+  inline void pokeGparityDoubledGaugeField(DoubledGaugeField &Uds, const GaugeLinkField &poke_f0, const GaugeLinkField &poke_f1, const int mu){
+    autoView(poke_f0_v, poke_f0, CpuRead);
+    autoView(poke_f1_v, poke_f1, CpuRead);
+    autoView(Uds_v, Uds, CpuWrite);
+    thread_foreach(ss,poke_f0_v,{
+	Uds_v[ss](0)(mu) = poke_f0_v[ss]();
+	Uds_v[ss](1)(mu) = poke_f1_v[ss]();
+      });
+  }
+    
+
   inline void DoubleStore(GridBase *GaugeGrid,DoubledGaugeField &Uds,const GaugeField &Umu)
   {
     conformable(Uds.Grid(),GaugeGrid);
@@ -207,14 +232,19 @@ public:
     GaugeLinkField Uconj(GaugeGrid);
    
     Lattice<iScalar<vInteger> > coor(GaugeGrid);
-        
+
-    for(int mu=0;mu<Nd;mu++){
+    //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
-          
+    //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs        
-      LatticeCoordinate(coor,mu);
+    for(int mu=0;mu<Nd-1;mu++){
+
+      if( Params.twists[mu] ){
+	LatticeCoordinate(coor,mu);
+      }
           
       U     = PeekIndex<LorentzIndex>(Umu,mu);
       Uconj = conjugate(U);
      
+      // Implement the isospin rotation sign on the boundary between f=1 and f=0
       // This phase could come from a simple bc 1,1,-1,1 ..
       int neglink = GaugeGrid->GlobalDimensions()[mu]-1;
       if ( Params.twists[mu] ) { 
@@ -229,7 +259,7 @@ public:
 	thread_foreach(ss,U_v,{
 	    Uds_v[ss](0)(mu) = U_v[ss]();
 	    Uds_v[ss](1)(mu) = Uconj_v[ss]();
-	  });
+	});
       }
           
       U     = adj(Cshift(U    ,mu,-1));      // correct except for spanning the boundary
@@ -260,6 +290,38 @@ public:
         });
       }
     }
+
+    { //periodic / antiperiodic temporal BCs
+      int mu = Nd-1;
+      int L   = GaugeGrid->GlobalDimensions()[mu];
+      int Lmu = L - 1;
+
+      LatticeCoordinate(coor, mu);
+
+      U = PeekIndex<LorentzIndex>(Umu, mu); //Get t-directed links
+      
+      GaugeLinkField *Upoke = &U;
+
+      if(Params.twists[mu]){ //antiperiodic
+	Utmp =  where(coor == Lmu, -U, U);
+	Upoke = &Utmp;
+      }
+    
+      Uconj = conjugate(*Upoke); //second flavor interacts with conjugate links      
+      pokeGparityDoubledGaugeField(Uds, *Upoke, Uconj, mu);
+
+      //Get the barrel-shifted field
+      Utmp = adj(Cshift(U, mu, -1)); //is a forward shift!
+      Upoke = &Utmp;
+
+      if(Params.twists[mu]){
+	U = where(coor == 0, -Utmp, Utmp);  //boundary phase
+	Upoke = &U;
+      }
+      
+      Uconj = conjugate(*Upoke);
+      pokeGparityDoubledGaugeField(Uds, *Upoke, Uconj, mu + 4);
+    }
   }
       
   inline void InsertForce4D(GaugeField &mat, FermionField &Btilde, FermionField &A, int mu) {
@@ -298,28 +360,48 @@ public:
   inline void extractLinkField(std::vector<GaugeLinkField> &mat, DoubledGaugeField &Uds){
     assert(0);
   }
-  
+ 
   inline void InsertForce5D(GaugeField &mat, FermionField &Btilde, FermionField &Atilde, int mu) {
-
+    int Ls=Btilde.Grid()->_fdimensions[0];
-    int Ls = Btilde.Grid()->_fdimensions[0];
+    
-        
-    GaugeLinkField tmp(mat.Grid());
-    tmp = Zero();
     {
-      autoView( tmp_v , tmp, CpuWrite);
+      GridBase *GaugeGrid = mat.Grid();
-      autoView( Atilde_v , Atilde, CpuRead);
+      Lattice<iScalar<vInteger> > coor(GaugeGrid);
-      autoView( Btilde_v , Btilde, CpuRead);
+
-      thread_for(ss,tmp.Grid()->oSites(),{
+      if( Params.twists[mu] ){
-	  for (int s = 0; s < Ls; s++) {
+	LatticeCoordinate(coor,mu);
-	    int sF = s + Ls * ss;
+      }
-	    auto ttmp = traceIndex<SpinIndex>(outerProduct(Btilde_v[sF], Atilde_v[sF]));
+
-	    tmp_v[ss]() = tmp_v[ss]() + ttmp(0, 0) + conjugate(ttmp(1, 1));
+      autoView( mat_v , mat, AcceleratorWrite);
-	  }
+      autoView( Btilde_v , Btilde, AcceleratorRead);
-	});
+      autoView( Atilde_v , Atilde, AcceleratorRead);
+      accelerator_for(sss,mat.Grid()->oSites(), FermionField::vector_type::Nsimd(),{	  
+  	  int sU=sss;
+  	  typedef decltype(coalescedRead(mat_v[sU](mu)() )) ColorMatrixType;
+  	  ColorMatrixType sum;
+  	  zeroit(sum);
+  	  for(int s=0;s<Ls;s++){
+  	    int sF = s+Ls*sU;
+  	    for(int spn=0;spn<Ns;spn++){ //sum over spin
+	      //Flavor 0
+  	      auto bb = coalescedRead(Btilde_v[sF](0)(spn) ); //color vector
+  	      auto aa = coalescedRead(Atilde_v[sF](0)(spn) );
+  	      sum = sum + outerProduct(bb,aa);
+
+  	      //Flavor 1
+  	      bb = coalescedRead(Btilde_v[sF](1)(spn) );
+  	      aa = coalescedRead(Atilde_v[sF](1)(spn) );
+  	      sum = sum + conjugate(outerProduct(bb,aa));
+  	    }
+  	  }	    
+  	  coalescedWrite(mat_v[sU](mu)(), sum);
+  	});
     }
-    PokeIndex<LorentzIndex>(mat, tmp, mu);
-    return;
   }
+
+
+  
+
   
 };
 

Grid/qcd/action/fermion/ImprovedStaggeredFermion.h

@@ -141,8 +141,11 @@ public:
   void ImportGauge(const GaugeField &_Uthin, const GaugeField &_Ufat);
   void ImportGaugeSimple(const GaugeField &_UUU    ,const GaugeField &_U);
   void ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
-  DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  virtual DoubledGaugeField &GetDoubledGaugeField(void)  override { return Umu; };
-  DoubledGaugeField &GetUUU(void) { return UUUmu; };
+  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
+  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void) override { return UmuOdd; };
+  virtual DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  virtual DoubledGaugeField &GetUUU(void) { return UUUmu; };
   void CopyGaugeCheckerboards(void);
 
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/ImprovedStaggeredFermion5D.h

@@ -160,17 +160,20 @@ public:
 			       RealD _c1=1.0, RealD _c2=1.0,RealD _u0=1.0,
 			     const ImplParams &p= ImplParams());
     
-    // DoubleStore gauge field in operator
+  // DoubleStore gauge field in operator
-    void ImportGauge      (const GaugeField &_Uthin ) { assert(0); }
+  void ImportGauge      (const GaugeField &_Uthin ) { assert(0); }
   void ImportGauge(const GaugeField &_Uthin,const GaugeField &_Ufat);
-    void ImportGaugeSimple(const GaugeField &_UUU,const GaugeField &_U);
+  void ImportGaugeSimple(const GaugeField &_UUU,const GaugeField &_U);
-    void ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
+  void ImportGaugeSimple(const DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
-    // Give a reference; can be used to do an assignment or copy back out after import
+  // Give a reference; can be used to do an assignment or copy back out after import
-    // if Carleton wants to cache them and not use the ImportSimple
+  // if Carleton wants to cache them and not use the ImportSimple
-    DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  virtual DoubledGaugeField &GetDoubledGaugeField(void)  override { return Umu; };
-    DoubledGaugeField &GetUUU(void) { return UUUmu; };
+  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
-    void CopyGaugeCheckerboards(void);
+  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void) override { return UmuOdd; };
-    
+  DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  DoubledGaugeField &GetUUU(void) { return UUUmu; };
+  void CopyGaugeCheckerboards(void);
+  
   ///////////////////////////////////////////////////////////////
   // Data members require to support the functionality
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/NaiveStaggeredFermion.h

@@ -135,6 +135,9 @@ public:
 
   // DoubleStore impl dependent
   void ImportGauge      (const GaugeField &_U );
+  DoubledGaugeField &GetDoubledGaugeField(void){ return Umu; };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return UmuEven; };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return UmuOdd; };
   DoubledGaugeField &GetU(void)   { return Umu ; } ;
   void CopyGaugeCheckerboards(void);
 

Grid/qcd/action/fermion/SchurFactoredFermionOperator.h

@@ -0,0 +1,534 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/fermion/SchurFactoredFermionOperator.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+#include <Grid/qcd/action/domains/Domains.h>
+
+NAMESPACE_BEGIN(Grid);
+
+  ////////////////////////////////////////////////////////
+  // Some explanation of class structure for domain decomposition:
+  //
+  // Need a dirichlet operator for two flavour determinant - acts on both Omega and OmegaBar.
+  //
+  // Possible gain if the global sums and CG are run independently?? Could measure this.
+  //
+  // Types of operations
+  //
+  // 1) assemble local det dOmega det dOmegaBar pseudofermion
+  //
+  // - DirichletFermionOperator - can either do a global solve, or independent/per cell coefficients.
+  //
+  // 2) assemble dOmegaInverse and dOmegaBarInverse in R
+  //
+  // - DirichletFermionOperator - can also be used to 
+  //                                       - need two or more cells per node. Options
+  //                                       - a) solve one cell at a time, no new code, CopyRegion and reduced /split Grids
+  //                                       - b) solve multiple cells in parallel. predicated dslash implementation
+  //
+  //                                       - b) has more parallelism, experience with block solver suggest might not be aalgorithmically inefficient
+  //                                         a) has more cache friendly and easier code.
+  //                                         b) is easy to implement in a "trial" or inefficient code with projection.
+  //
+  // 3)  Additional functionality for domain operations
+  //
+  // - SchurFactoredFermionOperator  - Need a DDHMC utility - whether used in two flavour or one flavour 
+  //
+  // - dBoundary - needs non-dirichlet operator
+  // - Contains one Dirichlet Op, and one non-Dirichlet op. Implements dBoundary etc...
+  // - The Dirichlet ops can be passed to dOmega(Bar) solvers etc...
+  //
+  ////////////////////////////////////////////////////////
+
+
+template<class ImplD,class ImplF>
+class SchurFactoredFermionOperator : public ImplD
+{
+  INHERIT_IMPL_TYPES(ImplD);
+  
+  typedef typename ImplF::FermionField FermionFieldF;
+  typedef typename ImplD::FermionField FermionFieldD;
+
+  typedef SchurDiagMooeeOperator<FermionOperator<ImplD>,FermionFieldD> LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionOperator<ImplF>,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<ImplD>,FermionFieldD> LinearOperatorDagD;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<ImplF>,FermionFieldF> LinearOperatorDagF;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionOperator<ImplD>,
+							  FermionOperator<ImplF>,
+							  LinearOperatorD,
+							  LinearOperatorF> MxPCG;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionOperator<ImplD>,
+							  FermionOperator<ImplF>,
+							  LinearOperatorDagD,
+							  LinearOperatorDagF> MxDagPCG;
+public:
+
+  GridBase *FermionGrid(void) { return PeriodicFermOpD.FermionGrid(); };
+  GridBase *GaugeGrid(void)   { return PeriodicFermOpD.GaugeGrid(); };
+  
+  FermionOperator<ImplD> & DirichletFermOpD;
+  FermionOperator<ImplF> & DirichletFermOpF;
+  FermionOperator<ImplD> & PeriodicFermOpD; 
+  FermionOperator<ImplF> & PeriodicFermOpF; 
+
+  LinearOperatorD DirichletLinOpD;
+  LinearOperatorF DirichletLinOpF;
+  LinearOperatorD PeriodicLinOpD;
+  LinearOperatorF PeriodicLinOpF;
+
+  LinearOperatorDagD DirichletLinOpDagD;
+  LinearOperatorDagF DirichletLinOpDagF;
+  LinearOperatorDagD PeriodicLinOpDagD;
+  LinearOperatorDagF PeriodicLinOpDagF;
+
+  // Can tinker with these in the pseudofermion for force vs. action solves
+  Integer maxinnerit;
+  Integer maxouterit;
+  RealD tol;
+  RealD tolinner;
+  
+  Coordinate Block;
+
+  DomainDecomposition Domains;
+
+  SchurFactoredFermionOperator(FermionOperator<ImplD>  & _PeriodicFermOpD,
+			       FermionOperator<ImplF>  & _PeriodicFermOpF,
+			       FermionOperator<ImplD>  & _DirichletFermOpD,
+			       FermionOperator<ImplF>  & _DirichletFermOpF,
+			       Coordinate &_Block)
+    : Block(_Block), Domains(Block),
+
+      PeriodicFermOpD(_PeriodicFermOpD),
+      PeriodicFermOpF(_PeriodicFermOpF),
+      DirichletFermOpD(_DirichletFermOpD),
+      DirichletFermOpF(_DirichletFermOpF),
+      DirichletLinOpD(DirichletFermOpD),
+      DirichletLinOpF(DirichletFermOpF),
+      PeriodicLinOpD(PeriodicFermOpD),
+      PeriodicLinOpF(PeriodicFermOpF),
+      DirichletLinOpDagD(DirichletFermOpD),
+      DirichletLinOpDagF(DirichletFermOpF),
+      PeriodicLinOpDagD(PeriodicFermOpD),
+      PeriodicLinOpDagF(PeriodicFermOpF)
+  {
+    tol=1.0e-10;
+    tolinner=1.0e-6;
+    maxinnerit=1000;
+    maxouterit=10;
+    assert(PeriodicFermOpD.FermionGrid() == DirichletFermOpD.FermionGrid());
+    assert(PeriodicFermOpF.FermionGrid() == DirichletFermOpF.FermionGrid());
+  };
+
+  enum Domain { Omega=0, OmegaBar=1 };
+
+  void ImportGauge(const GaugeField &Umu)
+  {
+    // Single precision will update in the mixed prec CG
+    PeriodicFermOpD.ImportGauge(Umu);
+    GaugeField dUmu(Umu.Grid());
+    dUmu=Umu;
+    //    DirchletBCs(dUmu);
+    DirichletFilter<GaugeField> Filter(Block);
+    Filter.applyFilter(dUmu);
+    DirichletFermOpD.ImportGauge(dUmu);
+  }
+
+/*
+  void ProjectBoundaryBothDomains (FermionField &f,int sgn)
+  {
+    assert((sgn==1)||(sgn==-1));
+    Real rsgn = sgn;
+
+    Gamma::Algebra Gmu [] = {
+      Gamma::Algebra::GammaX,
+      Gamma::Algebra::GammaY,
+      Gamma::Algebra::GammaZ,
+      Gamma::Algebra::GammaT
+    };
+
+    GridBase *grid = f.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid); one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger nface(grid); nface=Zero();
+    
+    FermionField projected(grid); projected=Zero();
+    FermionField sp_proj  (grid);
+
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+    Coordinate Global=grid->GlobalDimensions();
+
+    for(int mu=0;mu<Nd;mu++){
+
+      if ( Block[mu] <= Global[mu+isDWF] ) {
+	// need to worry about DWF 5th dim first
+	LatticeCoordinate(coor,mu+isDWF); 
+      
+	face = where(mod(coor,Block[mu]) == Integer(0),one,zero );
+	nface = nface + face;
+
+	Gamma G(Gmu[mu]);
+	// Lower face receives (1-gamma)/2 in normal forward hopping term
+	sp_proj  = 0.5*(f-G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+	//projected= where(face,f,projected);
+      
+	face = where(mod(coor,Block[mu]) == Integer(Block[mu]-1) ,one,zero );
+	nface = nface + face;
+
+	// Upper face receives (1+gamma)/2 in normal backward hopping term
+	sp_proj = 0.5*(f+G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+	//projected= where(face,f,projected);
+      }
+      
+    }
+    // Initial Zero() where nface==0.
+    // Keep the spin projected faces where nface==1
+    // Full spinor where nface>=2
+    projected = where(nface>Integer(1),f,projected);
+    f=projected;
+  }
+*/
+  void ProjectBoundaryBothDomains (FermionField &f,int sgn)
+  {
+    assert((sgn==1)||(sgn==-1));
+    Real rsgn = sgn;
+
+    Gamma::Algebra Gmu [] = {
+      Gamma::Algebra::GammaX,
+      Gamma::Algebra::GammaY,
+      Gamma::Algebra::GammaZ,
+      Gamma::Algebra::GammaT
+    };
+
+    GridBase *grid = f.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid);   one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger  omega(grid);
+    LatticeInteger  omegabar(grid);
+    LatticeInteger  tmp(grid);
+
+    omega=one;    Domains.ProjectDomain(omega,0);
+    omegabar=one; Domains.ProjectDomain(omegabar,1);
+    
+    LatticeInteger nface(grid); nface=Zero();
+    
+    FermionField projected(grid); projected=Zero();
+    FermionField sp_proj  (grid);
+
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+    Coordinate Global=grid->GlobalDimensions();
+
+    for(int mmu=0;mmu<Nd;mmu++){
+      Gamma G(Gmu[mmu]);
+
+      // need to worry about DWF 5th dim first
+      int mu = mmu+isDWF;
+      if ( Block[mmu] && (Block[mmu] <= Global[mu]) ) {
+
+	// Lower face receives (1-gamma)/2 in normal forward hopping term
+ 	tmp = Cshift(omegabar,mu,-1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,-1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	nface = nface + face;
+
+	sp_proj  = 0.5*(f-G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+
+	// Upper face receives (1+gamma)/2 in normal backward hopping term
+ 	tmp = Cshift(omegabar,mu,1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	nface = nface + face;
+
+	sp_proj = 0.5*(f+G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+      }
+      
+    }
+    // Initial Zero() where nface==0.
+    // Keep the spin projected faces where nface==1
+    // Full spinor where nface>=2
+    projected = where(nface>Integer(1),f,projected);
+    f=projected;
+  }
+
+  void ProjectDomain(FermionField &f,int domain)
+  {
+/*
+    GridBase *grid = f.Grid();
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+
+    FermionField zz(grid); zz=Zero();
+    LatticeInteger coor(grid);
+    LatticeInteger domaincb(grid); domaincb=Zero();
+    for(int d=0;d<Nd;d++){
+      LatticeCoordinate(coor,d+isDWF);
+      domaincb = domaincb + div(coor,Block[d]);
+    }
+    f = where(mod(domaincb,2)==Integer(domain),f,zz);
+*/
+    Domains.ProjectDomain(f,domain);
+
+  };
+  void ProjectOmegaBar   (FermionField &f) {ProjectDomain(f,OmegaBar);}
+  void ProjectOmega      (FermionField &f) {ProjectDomain(f,Omega);}
+  // See my notes(!).
+  // Notation: Following Luscher, we introduce projectors $\hPdb$ with both spinor and space structure
+  // projecting all spinor elements in $\Omega$ connected by $\Ddb$ to $\bar{\Omega}$,
+  void ProjectBoundaryBar(FermionField &f)
+  {
+    ProjectBoundaryBothDomains(f,1);
+    ProjectOmega(f);
+  }
+  // and $\hPd$ projecting all spinor elements in $\bar{\Omega}$ connected by $\Dd$ to $\Omega$.
+  void ProjectBoundary   (FermionField &f)
+  {
+    ProjectBoundaryBothDomains(f,1);
+    ProjectOmegaBar(f);
+    //    DumpSliceNorm("ProjectBoundary",f,f.Grid()->Nd()-1);
+  };
+
+  void dBoundary    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    PeriodicFermOpD.M(tmp,out);
+    ProjectOmega(out);
+  };
+  void dBoundaryDag (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    PeriodicFermOpD.Mdag(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dBoundaryBar (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    PeriodicFermOpD.M(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dBoundaryBarDag (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    PeriodicFermOpD.Mdag(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmega       (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    DirichletFermOpD.M(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBar    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    DirichletFermOpD.M(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaDag       (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    DirichletFermOpD.Mdag(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBarDag    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    DirichletFermOpD.Mdag(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaInv   (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    dOmegaInvAndOmegaBarInv(tmp,out); // Inefficient warning
+    ProjectOmega(out);
+  };
+  void dOmegaBarInv(FermionField &in,FermionField &out)
+  {    
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    dOmegaInvAndOmegaBarInv(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaDagInv   (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    dOmegaDagInvAndOmegaBarDagInv(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBarDagInv(FermionField &in,FermionField &out)
+  {    
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    dOmegaDagInvAndOmegaBarDagInv(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaInvAndOmegaBarInv(FermionField &in,FermionField &out)
+  {
+    MxPCG OmegaSolver(tol,
+		      tolinner,
+		      maxinnerit,
+		      maxouterit,
+		      DirichletFermOpF.FermionRedBlackGrid(),
+		      DirichletFermOpF,
+		      DirichletFermOpD,
+		      DirichletLinOpF,
+		      DirichletLinOpD);
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(OmegaSolver);
+    PrecSolve(DirichletFermOpD,in,out);
+  };
+  void dOmegaDagInvAndOmegaBarDagInv(FermionField &in,FermionField &out)
+  {
+    MxDagPCG OmegaDagSolver(tol,
+			    tolinner,
+			    maxinnerit,
+			    maxouterit,
+			    DirichletFermOpF.FermionRedBlackGrid(),
+			    DirichletFermOpF,
+			    DirichletFermOpD,
+			    DirichletLinOpDagF,
+			    DirichletLinOpDagD);
+    SchurRedBlackDiagMooeeDagSolve<FermionField> PrecSolve(OmegaDagSolver);
+    PrecSolve(DirichletFermOpD,in,out);
+  };
+
+  // Rdag = Pdbar - DdbarDag DomegabarDagInv  DdDag DomegaDagInv Pdbar 
+  void RDag(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    FermionField tmp2(PeriodicFermOpD.FermionGrid());
+    out = in;
+    ProjectBoundaryBar(out);
+    dOmegaDagInv(out,tmp1);   
+    dBoundaryDag(tmp1,tmp2);   
+    dOmegaBarDagInv(tmp2,tmp1);
+    dBoundaryBarDag(tmp1,tmp2); 
+    out = out - tmp2;
+  };
+
+  // R = Pdbar - Pdbar DomegaInv Dd DomegabarInv Ddbar
+  void R(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    FermionField tmp2(PeriodicFermOpD.FermionGrid());
+    out = in;
+    ProjectBoundaryBar(out);
+    dBoundaryBar(out,tmp1); 
+    dOmegaBarInv(tmp1,tmp2);
+    dBoundary(tmp2,tmp1);   
+    dOmegaInv(tmp1,tmp2);   
+    out = in - tmp2 ;       
+    ProjectBoundaryBar(out);
+    //    DumpSliceNorm("R",out,out.Grid()->Nd()-1);
+  };
+  
+  // R = Pdbar - Pdbar Dinv Ddbar 
+  void RInv(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    dBoundaryBar(in,out);
+    Dinverse(out,tmp1);  
+    out =in -tmp1; 
+    ProjectBoundaryBar(out);
+  };
+  // R = Pdbar - DdbarDag DinvDag Pdbar 
+  void RDagInv(FermionField &in,FermionField &out)
+  {
+    FermionField tmp(PeriodicFermOpD.FermionGrid());
+    FermionField Pin(PeriodicFermOpD.FermionGrid());
+    Pin = in; ProjectBoundaryBar(Pin);
+    DinverseDag(Pin,out);  
+    dBoundaryBarDag(out,tmp);
+    out =Pin -tmp; 
+  };
+  // Non-dirichlet inverter using red-black preconditioning
+  void Dinverse(FermionField &in,FermionField &out)
+  {
+    MxPCG DSolver(tol,
+		  tolinner,
+		  maxinnerit,
+		  maxouterit,
+		  PeriodicFermOpF.FermionRedBlackGrid(),
+		  PeriodicFermOpF,
+		  PeriodicFermOpD,
+		  PeriodicLinOpF,
+		  PeriodicLinOpD);
+    SchurRedBlackDiagMooeeSolve<FermionField> Solve(DSolver);
+    Solve(PeriodicFermOpD,in,out);
+  }
+  void DinverseDag(FermionField &in,FermionField &out)
+  {
+    MxDagPCG DdagSolver(tol,
+			tolinner,
+			maxinnerit,
+			maxouterit,
+			PeriodicFermOpF.FermionRedBlackGrid(),
+			PeriodicFermOpF,
+			PeriodicFermOpD,
+			PeriodicLinOpDagF,
+			PeriodicLinOpDagD);
+    SchurRedBlackDiagMooeeDagSolve<FermionField> Solve(DdagSolver);
+    Solve(PeriodicFermOpD,in,out);
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/fermion/WilsonCompressor.h

@@ -303,9 +303,11 @@ public:
 		int npoints,
 		int checkerboard,
 		const std::vector<int> &directions,
-		const std::vector<int> &distances,Parameters p)  
+		const std::vector<int> &distances,
-    : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,p) 
+		bool locally_periodic,
-  { 
+		Parameters p)  
+    : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,locally_periodic,p)
+  {
     ZeroCountersi();
     surface_list.resize(0);
     this->same_node.resize(npoints);

Grid/qcd/action/fermion/WilsonFermion.h

@@ -146,8 +146,11 @@ public:
   void DhopInternalSerial(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
                     const FermionField &in, FermionField &out, int dag);
 
+  void DhopInternalDirichletComms(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
+				  const FermionField &in, FermionField &out, int dag);
+  
   void DhopInternalOverlappedComms(StencilImpl &st, LebesgueOrder &lo, DoubledGaugeField &U,
-                    const FermionField &in, FermionField &out, int dag);
+				   const FermionField &in, FermionField &out, int dag);
 
   // Constructor
   WilsonFermion(GaugeField &_Umu, GridCartesian &Fgrid,
@@ -157,7 +160,10 @@ public:
 
   // DoubleStore impl dependent
   void ImportGauge(const GaugeField &_Umu);
-
+  DoubledGaugeField &GetDoubledGaugeField(void){ return Umu; };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return UmuEven; };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return UmuOdd; };
+  
   ///////////////////////////////////////////////////////////////
   // Data members require to support the functionality
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/WilsonFermion5D.h

@@ -165,7 +165,14 @@ public:
 			       const FermionField &in, 
 			       FermionField &out,
 			       int dag);
-    
+
+  void DhopInternalDirichletComms(StencilImpl & st,
+				  LebesgueOrder &lo,
+				  DoubledGaugeField &U,
+				  const FermionField &in, 
+				  FermionField &out,
+				  int dag);
+  
   // Constructors
   WilsonFermion5D(GaugeField &_Umu,
 		  GridCartesian         &FiveDimGrid,
@@ -174,19 +181,11 @@ public:
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  double _M5,const ImplParams &p= ImplParams());
     
-  // Constructors
-  /*
-    WilsonFermion5D(int simd, 
-    GaugeField &_Umu,
-    GridCartesian         &FiveDimGrid,
-    GridRedBlackCartesian &FiveDimRedBlackGrid,
-    GridCartesian         &FourDimGrid,
-    double _M5,const ImplParams &p= ImplParams());
-  */
-    
   // DoubleStore
   void ImportGauge(const GaugeField &_Umu);
-    
+  DoubledGaugeField &GetDoubledGaugeField(void){ return Umu; };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return UmuEven; };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return UmuOdd; };
   ///////////////////////////////////////////////////////////////
   // Data members require to support the functionality
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/WilsonKernels.h

@@ -39,7 +39,7 @@ NAMESPACE_BEGIN(Grid);
 class WilsonKernelsStatic { 
 public:
   enum { OptGeneric, OptHandUnroll, OptInlineAsm };
-  enum { CommsAndCompute, CommsThenCompute };
+  enum { CommsAndCompute, CommsThenCompute, CommsDirichlet };
   static int Opt;  
   static int Comms;
 };

Grid/qcd/action/fermion/implementation/CayleyFermion5DImplementation.h

@@ -112,7 +112,6 @@ void CayleyFermion5D<Impl>::ImportUnphysicalFermion(const FermionField &input4d,
   axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
   imported5d=tmp;
 }
-
 template<class Impl>  
 void CayleyFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d)
 {
@@ -127,6 +126,37 @@ void CayleyFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &inpu
   axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
   Dminus(tmp,imported5d);
 }
+////////////////////////////////////////////////////
+// Added for fourD pseudofermion det estimation
+////////////////////////////////////////////////////
+template<class Impl>  
+void CayleyFermion5D<Impl>::ImportFourDimPseudoFermion(const FermionField &input4d,FermionField &imported5d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  conformable(imported5d.Grid(),this->FermionGrid());
+  conformable(input4d.Grid()   ,this->GaugeGrid());
+  tmp = Zero();
+  InsertSlice(input4d, tmp, 0   , 0);
+  InsertSlice(input4d, tmp, Ls-1, 0);
+  axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, 0, 0);
+  axpby_ssp_pplus (tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
+  imported5d=tmp;
+}
+template<class Impl>  
+void CayleyFermion5D<Impl>::ExportFourDimPseudoFermion(const FermionField &solution5d,FermionField &exported4d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  tmp = solution5d;
+  conformable(solution5d.Grid(),this->FermionGrid());
+  conformable(exported4d.Grid(),this->GaugeGrid());
+  axpby_ssp_pminus(tmp, 0., solution5d, 1., solution5d, 0, 0);
+  axpby_ssp_pplus (tmp, 1., tmp       , 1., solution5d, 0, Ls-1);
+  ExtractSlice(exported4d, tmp, 0, 0);
+}
+
+// Dminus
 template<class Impl>  
 void CayleyFermion5D<Impl>::Dminus(const FermionField &psi, FermionField &chi)
 {

Grid/qcd/action/fermion/implementation/WilsonFermion5DImplementation.h

@@ -51,9 +51,9 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   _FiveDimRedBlackGrid(&FiveDimRedBlackGrid),
   _FourDimGrid        (&FourDimGrid),
   _FourDimRedBlackGrid(&FourDimRedBlackGrid),
-  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p),
+  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p.locally_periodic,p),
-  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p), // source is Even
+  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p.locally_periodic,p), // source is Even
-  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p), // source is Odd
+  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p.locally_periodic,p), // source is Odd
   M5(_M5),
   Umu(_FourDimGrid),
   UmuEven(_FourDimRedBlackGrid),
@@ -361,10 +361,21 @@ void WilsonFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOrder &lo,
                                          const FermionField &in, FermionField &out,int dag)
 {
   DhopTotalTime-=usecond();
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
+
+  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
+	 ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute)
+         ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet) );
+
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) {
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
-  else 
+  }
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute ) {
     DhopInternalSerialComms(st,lo,U,in,out,dag);
+  }
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet ) {
+    DhopInternalDirichletComms(st,lo,U,in,out,dag);
+  }
+  
   DhopTotalTime+=usecond();
 }
 
@@ -431,6 +442,30 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
   DhopComputeTime2+=usecond();
 }
 
+template<class Impl>
+void WilsonFermion5D<Impl>::DhopInternalDirichletComms(StencilImpl & st, LebesgueOrder &lo,
+						       DoubledGaugeField & U,
+						       const FermionField &in, FermionField &out,int dag)
+{
+  Compressor compressor(dag);
+
+  int LLs = in.Grid()->_rdimensions[0];
+  int len =  U.Grid()->oSites();
+      
+  /////////////////////////////
+  // do the compute interior
+  /////////////////////////////
+  int Opt = WilsonKernelsStatic::Opt; // Why pass this. Kernels should know
+  DhopComputeTime-=usecond();
+  if (dag == DaggerYes) {
+    Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
+  } else {
+    Kernels::DhopKernel   (Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
+  }
+  accelerator_barrier();
+  DhopComputeTime+=usecond();
+}
+
 
 template<class Impl>
 void WilsonFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st, LebesgueOrder &lo,

Grid/qcd/action/fermion/implementation/WilsonFermionImplementation.h

@@ -47,9 +47,9 @@ WilsonFermion<Impl>::WilsonFermion(GaugeField &_Umu, GridCartesian &Fgrid,
     Kernels(p),
     _grid(&Fgrid),
     _cbgrid(&Hgrid),
-    Stencil(&Fgrid, npoint, Even, directions, displacements,p),
+    Stencil(&Fgrid, npoint, Even, directions, displacements,p.locally_periodic,p),
-    StencilEven(&Hgrid, npoint, Even, directions,displacements,p),  // source is Even
+    StencilEven(&Hgrid, npoint, Even, directions,displacements,p.locally_periodic,p),  // source is Even
-    StencilOdd(&Hgrid, npoint, Odd, directions,displacements,p),  // source is Odd
+    StencilOdd(&Hgrid, npoint, Odd, directions,displacements,p.locally_periodic,p),  // source is Odd
     mass(_mass),
     Lebesgue(_grid),
     LebesgueEvenOdd(_cbgrid),
@@ -488,12 +488,21 @@ void WilsonFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder &lo,
                                        FermionField &out, int dag)
 {
   DhopTotalTime-=usecond();
-#ifdef GRID_OMP
+
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
+  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
+	 ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute)
+         ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet) );
+
+
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) {
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
-  else
+  }
-#endif
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute ) {
     DhopInternalSerial(st,lo,U,in,out,dag);
+  }
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet ) {
+    DhopInternalDirichletComms(st,lo,U,in,out,dag);
+  }
   DhopTotalTime+=usecond();
 }
 
@@ -562,6 +571,29 @@ void WilsonFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, LebesgueO
   DhopComputeTime2+=usecond();
 };
 
+template <class Impl>
+void WilsonFermion<Impl>::DhopInternalDirichletComms(StencilImpl &st, LebesgueOrder &lo,
+						     DoubledGaugeField &U,
+						     const FermionField &in,
+						     FermionField &out, int dag)
+{
+  assert((dag == DaggerNo) || (dag == DaggerYes));
+
+  Compressor compressor(dag);
+  int len =  U.Grid()->oSites();
+
+  /////////////////////////////
+  // do the compute interior
+  /////////////////////////////
+  int Opt = WilsonKernelsStatic::Opt;
+  DhopComputeTime-=usecond();
+  if (dag == DaggerYes) {
+    Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,1,0);
+  } else {
+    Kernels::DhopKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,1,0);
+  }
+  DhopComputeTime+=usecond();
+};
 
 template <class Impl>
 void WilsonFermion<Impl>::DhopInternalSerial(StencilImpl &st, LebesgueOrder &lo,

Grid/qcd/action/gauge/GaugeImplTypes.h

@@ -61,7 +61,7 @@ NAMESPACE_BEGIN(Grid);
   typedef typename Impl::Field Field;
 
 // hardcodes the exponential approximation in the template
-template <class S, int Nrepresentation = Nc, int Nexp = 12 > class GaugeImplTypes {
+template <class S, int Nrepresentation = Nc, int Nexp = 20 > class GaugeImplTypes {
 public:
   typedef S Simd;
   typedef typename Simd::scalar_type scalar_type;

Grid/qcd/action/pseudofermion/Bounds.h

@@ -40,13 +40,66 @@ NAMESPACE_BEGIN(Grid);
       X=X-Y;
       RealD Nd = norm2(X);
       std::cout << "************************* "<<std::endl;
-      std::cout << " noise                         = "<<Nx<<std::endl;
+      std::cout << " | noise |^2                         = "<<Nx<<std::endl;
-      std::cout << " (MdagM^-1/2)^2  noise         = "<<Nz<<std::endl;
+      std::cout << " | (MdagM^-1/2)^2  noise |^2         = "<<Nz<<std::endl;
-      std::cout << " MdagM (MdagM^-1/2)^2  noise   = "<<Ny<<std::endl;
+      std::cout << " | MdagM (MdagM^-1/2)^2  noise |^2   = "<<Ny<<std::endl;
-      std::cout << " noise - MdagM (MdagM^-1/2)^2  noise   = "<<Nd<<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);
 

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h

@@ -0,0 +1,163 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundaryBoson.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  FermionField Phi; // the pseudo fermion field for this trajectory
+public:
+  DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), 
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_NumOp.FermionGrid()) {};
+
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag P^dag P phi}
+    //
+    // NumOp == P
+    //
+    // Take phi = P^{-1} eta  ; eta = P Phi
+    //
+    // 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) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField eta(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    //DumpSliceNorm("eta",eta);
+    NumOp.RInv(eta,Phi);
+
+    //DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField Y(NumOp.FermionGrid());
+
+    NumOp.R(Phi,Y);
+
+    RealD action = norm2(Y);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=DerivativeStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.FermionGrid();
+    GridBase *ugrid = NumOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DoidP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+    
+    // P^dag P term
+    NumOp.dOmegaDagInv(P_Phi,DoidP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidP_Phi,tmp);
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourPseudoFermion.h

@@ -0,0 +1,158 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  RealD InnerStoppingCondition;
+
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+  RealD refresh_action;
+public:
+  DomainDecomposedBoundaryTwoFlavourPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol = 1.0e-6 )
+    : DenOp(_DenOp),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_DenOp.FermionGrid()) {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourPseudoFermion";}
+
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag Rdag^-1 R^-1 phi}
+    //
+    // DenOp == R
+    //
+    // Take phi = R eta  ; eta = R^-1 Phi
+    //
+    // 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) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol     =ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField eta(DenOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    DenOp.ProjectBoundaryBar(eta);
+    DenOp.R(eta,Phi);
+    //DumpSliceNorm("Phi",Phi);
+    refresh_action = norm2(eta);
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Rdag^-1 R^-1 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField X(DenOp.FermionGrid());
+
+    DenOp.RInv(Phi,X);
+
+    RealD action = norm2(X);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=DerivativeStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = DenOp.FermionGrid();
+    GridBase *ugrid = DenOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DiDdb_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinv_Phi(fgrid);    // Vector D in my notes
+    FermionField Rinv_Phi(fgrid);
+
+//   FermionField RinvDagRinv_Phi(fgrid);
+//   FermionField DdbdDidRinv_Phi(fgrid);
+
+    // R^-1 term
+    DenOp.dBoundaryBar(Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdb_Phi);            // Vector C
+    Rinv_Phi = Phi - DiDdb_Phi;
+    DenOp.ProjectBoundaryBar(Rinv_Phi); 
+ 
+    // R^-dagger R^-1 term
+    DenOp.DinverseDag(Rinv_Phi,DidRinv_Phi); // Vector D
+/*
+    DenOp.dBoundaryBarDag(DidRinv_Phi,DdbdDidRinv_Phi);
+    RinvDagRinv_Phi = Rinv_Phi - DdbdDidRinv_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinv_Phi);
+*/
+    X = DiDdb_Phi;
+    Y = DidRinv_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+    DumpSliceNorm("force",dSdU);
+    dSdU *= -1.0;
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion.h

@@ -0,0 +1,237 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+public:
+  DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp, 
+						       SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,
+						       RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), DenOp(_DenOp),
+      Phi(_NumOp.PeriodicFermOpD.FermionGrid()),
+      InnerStoppingCondition(_InnerTol),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol)
+  {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion";}
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField eta(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField tmp(NumOp.PeriodicFermOpD.FermionGrid());
+
+    // P(phi) = e^{- phi^dag P^dag Rdag^-1 R^-1 P phi}
+    //
+    // NumOp == P
+    // DenOp == R
+    //
+    // Take phi = P^{-1} R eta  ; eta = R^-1 P Phi
+    //
+    // 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) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    DenOp.R(eta,tmp);
+    NumOp.RInv(tmp,Phi);
+    DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag Rdag^-1 R^-1 P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField X(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField Y(NumOp.PeriodicFermOpD.FermionGrid());
+
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    NumOp.R(Phi,Y);
+    DenOp.RInv(Y,X);
+
+    RealD action = norm2(X);
+    //    std::cout << " DD boundary action is " <<action<<std::endl;
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.PeriodicFermOpD.FermionGrid();
+    GridBase *ugrid = NumOp.PeriodicFermOpD.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DiDdbP_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinvP_Phi(fgrid);    // Vector D in my notes
+    FermionField DdbdDidRinvP_Phi(fgrid);
+    FermionField DoidRinvDagRinvP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidRinvDagRinvP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    FermionField RinvP_Phi(fgrid);
+    FermionField RinvDagRinvP_Phi(fgrid);
+    FermionField PdagRinvDagRinvP_Phi(fgrid);
+
+    //    RealD action = S(U);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = DerivativeStoppingCondition;
+    NumOp.tol = DerivativeStoppingCondition;
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+
+    // R^-1 P term
+    DenOp.dBoundaryBar(P_Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdbP_Phi);            // Vector C
+    RinvP_Phi = P_Phi - DiDdbP_Phi;
+    DenOp.ProjectBoundaryBar(RinvP_Phi); // Correct to here
+
+ 
+    // R^-dagger R^-1 P term
+    DenOp.DinverseDag(RinvP_Phi,DidRinvP_Phi); // Vector D
+    DenOp.dBoundaryBarDag(DidRinvP_Phi,DdbdDidRinvP_Phi);
+    RinvDagRinvP_Phi = RinvP_Phi - DdbdDidRinvP_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinvP_Phi);
+
+    
+    // P^dag R^-dagger R^-1 P term
+    NumOp.dOmegaDagInv(RinvDagRinvP_Phi,DoidRinvDagRinvP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidRinvDagRinvP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidRinvDagRinvP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidRinvDagRinvP_Phi,tmp);
+    PdagRinvDagRinvP_Phi = RinvDagRinvP_Phi- tmp;
+    NumOp.ProjectBoundaryBar(PdagRinvDagRinvP_Phi);
+
+    /*
+    std::cout << "S eval  "<< action << std::endl;
+    std::cout << "S - IP1 "<< innerProduct(Phi,PdagRinvDagRinvP_Phi) << std::endl;
+    std::cout << "S - IP2 "<< norm2(RinvP_Phi) << std::endl;
+
+    NumOp.R(Phi,tmp);
+    tmp = tmp - P_Phi;
+    std::cout << "diff1 "<<norm2(tmp) <<std::endl;
+    
+    
+    DenOp.RInv(P_Phi,tmp);
+    tmp = tmp - RinvP_Phi;
+    std::cout << "diff2 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDagInv(RinvP_Phi,tmp);
+    tmp  = tmp - RinvDagRinvP_Phi;
+    std::cout << "diff3 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDag(RinvDagRinvP_Phi,tmp);
+    tmp  = tmp - PdagRinvDagRinvP_Phi;
+    std::cout << "diff4 "<<norm2(tmp) <<std::endl;
+    */
+    
+    dSdU=Zero();
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DiDdbP_Phi;
+    Y = DidRinvP_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h

@@ -0,0 +1,372 @@
+    /*************************************************************************************
+
+    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

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h

@@ -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

Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h

@@ -40,249 +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;
-
     private:
-     
+      static RationalActionParams transcribe(const Params &in){
-      FermionOperator<Impl> & NumOp;// the basic operator
+	RationalActionParams out;
-      FermionOperator<Impl> & DenOp;// the basic operator
+	out.inv_pow = 2;
-      FermionField PhiEven; // the pseudo fermion field for this trajectory
+	out.lo = in.lo;
-      FermionField PhiOdd; // the pseudo fermion field for this trajectory
+	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, 
+							FermionOperator<Impl>  &_DenOp, 
-					    Params & p
+							const Params & p
-					    ) : 
+							) : 
-      NumOp(_NumOp), 
+	GeneralEvenOddRatioRationalPseudoFermionAction<Impl>(_NumOp, _DenOp, transcribe(p)){}
-      DenOp(_DenOp), 
-      PhiOdd (_NumOp.FermionRedBlackGrid()),
-      PhiEven(_NumOp.FermionRedBlackGrid()),
-      param(p) 
-      {
-	AlgRemez remez(param.lo,param.hi,param.precision);
 
-	// MdagM^(+- 1/2)
+      virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}      
-	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);
-
-	// 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);
-	PowerNegQuarter.Init(remez,param.tolerance,true);
-      };
-
-      virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}
-
-      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);
-
-	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 = PhiOdd;
-	  HighBoundCheck(MdagM,gauss,param.hi);
-	  InverseSqrtBoundsCheck(param.MaxIter,param.tolerance*100,MdagM,gauss,PowerNegHalf);
-	}
-
-	//  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  = PowerNegHalf.poles.size();
-	const int n_pv = PowerQuarter.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,PowerQuarter);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);
-
-	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 = PowerNegHalf.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 = PowerQuarter.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);
-
-      };
     };
 
 NAMESPACE_END(Grid);

Grid/qcd/action/pseudofermion/PseudoFermion.h

@@ -26,8 +26,7 @@ See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
 /*  END LEGAL */
-#ifndef QCD_PSEUDOFERMION_AGGREGATE_H
+#pragma once
-#define QCD_PSEUDOFERMION_AGGREGATE_H
 
 // Rational functions
 #include <Grid/qcd/action/pseudofermion/Bounds.h>
@@ -40,7 +39,14 @@ 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>
+#include <Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourPseudoFermion.h>
+#include <Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h>
+#include <Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion.h>
+
+
+
 
-#endif

Grid/qcd/action/pseudofermion/TwoFlavour.h

@@ -98,6 +98,7 @@ public:
 
     FermOp.ImportGauge(U);
     FermOp.Mdag(eta, Phi);
+    std::cout << GridLogMessage << "Pseudofermion action refresh " << norm2(eta) << std::endl;
   };
 
   //////////////////////////////////////////////////////

Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h

@@ -50,6 +50,8 @@ NAMESPACE_BEGIN(Grid);
       FermionField PhiOdd;   // the pseudo fermion field for this trajectory
       FermionField PhiEven;  // the pseudo fermion field for this trajectory
 
+      virtual void refreshRestrict(FermionField &eta) {};
+      
     public:
       TwoFlavourEvenOddRatioPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
                                                 FermionOperator<Impl>  &_DenOp, 
@@ -60,7 +62,8 @@ NAMESPACE_BEGIN(Grid);
       TwoFlavourEvenOddRatioPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
                                                 FermionOperator<Impl>  &_DenOp, 
                                                 OperatorFunction<FermionField> & DS,
-                                                OperatorFunction<FermionField> & AS, OperatorFunction<FermionField> & HS) :
+                                                OperatorFunction<FermionField> & AS,
+						OperatorFunction<FermionField> & HS) :
       NumOp(_NumOp), 
       DenOp(_DenOp), 
       DerivativeSolver(DS), 
@@ -83,16 +86,7 @@ NAMESPACE_BEGIN(Grid);
 	return sstream.str();
       } 
 
-      
       virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
-
-        // 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
-        //
         // P(eta_o) = e^{- eta_o^dag eta_o}
         //
         // e^{x^2/2 sig^2} => sig^2 = 0.5.
@@ -100,12 +94,23 @@ NAMESPACE_BEGIN(Grid);
         RealD scale = std::sqrt(0.5);
 
         FermionField eta    (NumOp.FermionGrid());
+        gaussian(pRNG,eta); eta = eta * scale;
+
+	refreshRestrict(eta); // Used by DDHMC
+	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
+        //
+        // Take phi_o = Vpcdag^{-1} Mpcdag eta_o  ; eta_o = Mpcdag^{-1} Vpcdag Phi
         FermionField etaOdd (NumOp.FermionRedBlackGrid());
         FermionField etaEven(NumOp.FermionRedBlackGrid());
         FermionField tmp    (NumOp.FermionRedBlackGrid());
 
-        gaussian(pRNG,eta);
-
         pickCheckerboard(Even,etaEven,eta);
         pickCheckerboard(Odd,etaOdd,eta);
 
@@ -125,8 +130,9 @@ NAMESPACE_BEGIN(Grid);
         DenOp.MooeeDag(etaEven,tmp);
         NumOp.MooeeInvDag(tmp,PhiEven);
 
-        PhiOdd =PhiOdd*scale;
+        //PhiOdd =PhiOdd*scale;
-        PhiEven=PhiEven*scale;
+        //PhiEven=PhiEven*scale;
+	std::cout << GridLogMessage<<" TwoFlavourEvenOddRatio Expect action to be "<<norm2(etaOdd) + norm2(etaEven)<<std::endl;
         
       };
 
@@ -161,6 +167,8 @@ NAMESPACE_BEGIN(Grid);
         DenOp.MooeeInvDag(X,Y);
         action = action + norm2(Y);
 
+	std::cout << GridLogMessage<<" TwoFlavourEvenOddRatio action is "<<action<<std::endl;
+
         return action;
       };
 
@@ -173,7 +181,7 @@ NAMESPACE_BEGIN(Grid);
 
         NumOp.ImportGauge(U);
         DenOp.ImportGauge(U);
-
+	
         SchurDifferentiableOperator<Impl> Mpc(DenOp);
         SchurDifferentiableOperator<Impl> Vpc(NumOp);
 
@@ -208,7 +216,7 @@ NAMESPACE_BEGIN(Grid);
         assert(DenOp.ConstEE() == 1);
 
         dSdU = -dSdU;
-        
+
       };
     };
 NAMESPACE_END(Grid);

Grid/qcd/action/pseudofermion/TwoFlavourRatio.h

@@ -99,7 +99,7 @@ public:
     NumOp.M(tmp,Phi);               // Vdag^-1 Mdag eta
 
     Phi=Phi*scale;
-	
+    std::cout << GridLogMessage<<" TwoFlavourRatio Expect action to be "<<norm2(eta)*scale*scale<<std::endl;
   };
 
   //////////////////////////////////////////////////////
@@ -121,6 +121,7 @@ public:
     DenOp.M(X,Y);                  // Y=  Mdag^-1 Vdag phi
 
     RealD action = norm2(Y);
+    std::cout << GridLogMessage<<" TwoFlavourRatio action is "<<action<<std::endl;
 
     return action;
   };

Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h

@@ -0,0 +1,197 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: paboyle <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 */
+#pragma once
+
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class Impl>
+class TwoFlavourRatio4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+private:
+  FermionOperator<Impl> & NumOp;// the basic operator
+  FermionOperator<Impl> & DenOp;// the basic operator
+
+  OperatorFunction<FermionField> &DerivativeSolver;
+  OperatorFunction<FermionField> &ActionSolver;
+
+  FermionField phi4; // the pseudo fermion field for this trajectory
+
+public:
+  TwoFlavourRatio4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+				       FermionOperator<Impl>  &_DenOp, 
+				       OperatorFunction<FermionField> & DS,
+				       OperatorFunction<FermionField> & AS
+				       ) : NumOp(_NumOp),
+					   DenOp(_DenOp),
+					   DerivativeSolver(DS),
+					   ActionSolver(AS),
+					   phi4(_NumOp.GaugeGrid())
+  {};
+      
+  virtual std::string action_name(){return "TwoFlavourRatio4DPseudoFermionAction";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+    return sstream.str();
+  }  
+      
+  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+
+    // P(phi) = e^{- phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi}
+    //
+    // NumOp == V
+    // DenOp == M
+    //
+    // Take phi = (V^{-1} M)_11 eta  ; eta = (M^{-1} V)_11 Phi
+    //
+    // 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) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    FermionField eta4(NumOp.GaugeGrid());
+    FermionField eta5(NumOp.FermionGrid());
+    FermionField tmp(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta4);
+    NumOp.ImportFourDimPseudoFermion(eta4,eta5);
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(NumOp);
+
+    DenOp.M(eta5,phi5);               // M eta
+    NumOp.Mdag(phi5,tmp);            // Vdag M eta
+    phi5 = Zero();
+    ActionSolver(MdagMOp,tmp,phi5);  // (VdagV)^-1 M eta = V^-1 Vdag^-1 Vdag M eta = V^-1 M eta
+    phi5=phi5*scale;
+
+    // Project to 4d
+    NumOp.ExportFourDimPseudoFermion(phi5,phi4);
+      
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField Y4(NumOp.GaugeGrid());
+    FermionField X(NumOp.FermionGrid());
+    FermionField Y(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+	
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+
+    NumOp.ImportFourDimPseudoFermion(phi4,phi5);
+    NumOp.M(phi5,Y);              // Y= V phi
+    DenOp.Mdag(Y,X);              // X= Mdag V phi
+    Y=Zero();
+    ActionSolver(MdagMOp,X,Y);    // Y= (MdagM)^-1 Mdag Vdag phi = M^-1 V phi
+
+    NumOp.ExportFourDimPseudoFermion(Y,Y4);
+
+    RealD action = norm2(Y4);
+
+    return action;
+  };
+
+  //////////////////////////////////////////////////////
+  // dS/du = 2 Re phi^dag (V^dag M^-dag)_11  (M^-1 d V)_11  phi
+  //       - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+  //////////////////////////////////////////////////////
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+
+
+    FermionField  X(NumOp.FermionGrid());
+    FermionField  Y(NumOp.FermionGrid());
+    FermionField       phi(NumOp.FermionGrid());
+    FermionField      Vphi(NumOp.FermionGrid());
+    FermionField  MinvVphi(NumOp.FermionGrid());
+    FermionField      tmp4(NumOp.GaugeGrid());
+    FermionField  MdagInvMinvVphi(NumOp.FermionGrid());
+
+    GaugeField   force(NumOp.GaugeGrid());	
+
+    //Y=V phi
+    //X = (Mdag V phi
+    //Y = (Mdag M)^-1 Mdag V phi = M^-1 V Phi
+    NumOp.ImportFourDimPseudoFermion(phi4,phi);
+    NumOp.M(phi,Vphi);               //  V phi
+    DenOp.Mdag(Vphi,X);              // X=  Mdag V phi
+    Y=Zero();
+    DerivativeSolver(MdagMOp,X,MinvVphi);// M^-1 V phi
+
+    // Projects onto the physical space and back
+    NumOp.ExportFourDimPseudoFermion(MinvVphi,tmp4);
+    NumOp.ImportFourDimPseudoFermion(tmp4,Y);
+    
+    X=Zero();
+    DerivativeSolver(MdagMOp,Y,X);// X = (MdagM)^-1 proj M^-1 V phi
+    DenOp.M(X,MdagInvMinvVphi);
+    
+    // phi^dag (Vdag Mdag^-1) (M^-1 dV)  phi
+    NumOp.MDeriv(force ,MdagInvMinvVphi , phi, DaggerNo );  dSdU=force;
+  
+    // phi^dag (dVdag Mdag^-1) (M^-1 V)  phi
+    NumOp.MDeriv(force , phi, MdagInvMinvVphi ,DaggerYes  );  dSdU=dSdU+force;
+
+    //    - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+    DenOp.MDeriv(force,MdagInvMinvVphi,MinvVphi,DaggerNo);   dSdU=dSdU-force;
+    DenOp.MDeriv(force,MinvVphi,MdagInvMinvVphi,DaggerYes);  dSdU=dSdU-force;
+
+    dSdU *= -1.0; 
+    //dSdU = - Ta(dSdU);
+    
+  };
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h

@@ -0,0 +1,203 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: paboyle <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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class Impl>
+class TwoFlavourRatioEO4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+private:
+  typedef FermionOperator<Impl> FermOp;
+  FermionOperator<Impl> & NumOp;// the basic operator
+  FermionOperator<Impl> & DenOp;// the basic operator
+
+  OperatorFunction<FermionField> &DerivativeSolver;
+  OperatorFunction<FermionField> &DerivativeDagSolver;
+  OperatorFunction<FermionField> &ActionSolver;
+  OperatorFunction<FermionField> &HeatbathSolver;
+
+  FermionField phi4; // the pseudo fermion field for this trajectory
+
+public:
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & AS ) : 
+    TwoFlavourRatioEO4DPseudoFermionAction(_NumOp,_DenOp, DS,DS,AS,AS) {};
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & DDS,
+					 OperatorFunction<FermionField> & AS,
+					 OperatorFunction<FermionField> & HS
+				       ) : NumOp(_NumOp),
+					   DenOp(_DenOp),
+					   DerivativeSolver(DS),
+					   DerivativeDagSolver(DDS),
+					   ActionSolver(AS),
+					   HeatbathSolver(HS),
+					   phi4(_NumOp.GaugeGrid())
+  {};
+      
+  virtual std::string action_name(){return "TwoFlavourRatioEO4DPseudoFermionAction";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+    return sstream.str();
+  }  
+      
+  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+
+    // P(phi) = e^{- phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi}
+    //
+    // NumOp == V
+    // DenOp == M
+    //
+    // Take phi = (V^{-1} M)_11 eta  ; eta = (M^{-1} V)_11 Phi
+    //
+    // 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) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    FermionField eta4(NumOp.GaugeGrid());
+    FermionField eta5(NumOp.FermionGrid());
+    FermionField tmp(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta4);
+    NumOp.ImportFourDimPseudoFermion(eta4,eta5);
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(HeatbathSolver);
+
+    DenOp.M(eta5,tmp);               // M eta
+    PrecSolve(NumOp,tmp,phi5);  // phi = V^-1 M eta
+    phi5=phi5*scale;
+    std::cout << GridLogMessage << "4d pf refresh "<< norm2(phi5)<<"\n";
+    // Project to 4d
+    NumOp.ExportFourDimPseudoFermion(phi5,phi4);
+      
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField Y4(NumOp.GaugeGrid());
+    FermionField X(NumOp.FermionGrid());
+    FermionField Y(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+	
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(ActionSolver);
+
+    NumOp.ImportFourDimPseudoFermion(phi4,phi5);
+    NumOp.M(phi5,X);              // X= V phi
+    PrecSolve(DenOp,X,Y);    // Y= (MdagM)^-1 Mdag Vdag phi = M^-1 V phi
+    NumOp.ExportFourDimPseudoFermion(Y,Y4);
+
+    RealD action = norm2(Y4);
+
+    return action;
+  };
+
+  //////////////////////////////////////////////////////
+  // dS/du = 2 Re phi^dag (V^dag M^-dag)_11  (M^-1 d V)_11  phi
+  //       - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+  //////////////////////////////////////////////////////
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField  X(NumOp.FermionGrid());
+    FermionField  Y(NumOp.FermionGrid());
+    FermionField       phi(NumOp.FermionGrid());
+    FermionField      Vphi(NumOp.FermionGrid());
+    FermionField  MinvVphi(NumOp.FermionGrid());
+    FermionField      tmp4(NumOp.GaugeGrid());
+    FermionField  MdagInvMinvVphi(NumOp.FermionGrid());
+
+    GaugeField   force(NumOp.GaugeGrid());	
+
+    //Y=V phi
+    //X = (Mdag V phi
+    //Y = (Mdag M)^-1 Mdag V phi = M^-1 V Phi
+    NumOp.ImportFourDimPseudoFermion(phi4,phi);
+    NumOp.M(phi,Vphi);               //  V phi
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(DerivativeSolver);
+    PrecSolve(DenOp,Vphi,MinvVphi);// M^-1 V phi
+    std::cout << GridLogMessage << "4d deriv solve "<< norm2(MinvVphi)<<"\n";
+
+    // Projects onto the physical space and back
+    NumOp.ExportFourDimPseudoFermion(MinvVphi,tmp4);
+    NumOp.ImportFourDimPseudoFermion(tmp4,Y);
+
+    SchurRedBlackDiagMooeeDagSolve<FermionField> PrecDagSolve(DerivativeDagSolver);
+    // X = proj M^-dag V phi
+    // Need an adjoint solve
+    PrecDagSolve(DenOp,Y,MdagInvMinvVphi);
+    std::cout << GridLogMessage << "4d deriv solve dag "<< norm2(MdagInvMinvVphi)<<"\n";
+    
+    // phi^dag (Vdag Mdag^-1) (M^-1 dV)  phi
+    NumOp.MDeriv(force ,MdagInvMinvVphi , phi, DaggerNo );  dSdU=force;
+  
+    // phi^dag (dVdag Mdag^-1) (M^-1 V)  phi
+    NumOp.MDeriv(force , phi, MdagInvMinvVphi ,DaggerYes  );  dSdU=dSdU+force;
+
+    //    - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+    DenOp.MDeriv(force,MdagInvMinvVphi,MinvVphi,DaggerNo);   dSdU=dSdU-force;
+    DenOp.MDeriv(force,MinvVphi,MdagInvMinvVphi,DaggerYes);  dSdU=dSdU-force;
+
+    dSdU *= -1.0; 
+    //dSdU = - Ta(dSdU);
+    
+  };
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/qcd/gparity/Gparity.h

@@ -0,0 +1,6 @@
+#ifndef GRID_GPARITY_H_
+#define GRID_GPARITY_H_
+
+#include<Grid/qcd/gparity/GparityFlavour.h>
+
+#endif

Grid/qcd/gparity/GparityFlavour.cc

@@ -0,0 +1,34 @@
+#include <Grid/Grid.h>
+
+NAMESPACE_BEGIN(Grid);
+
+const std::array<const GparityFlavour, 3> GparityFlavour::sigma_mu = {{
+    GparityFlavour(GparityFlavour::Algebra::SigmaX),
+    GparityFlavour(GparityFlavour::Algebra::SigmaY),
+    GparityFlavour(GparityFlavour::Algebra::SigmaZ)
+    }};
+
+const std::array<const GparityFlavour, 6> GparityFlavour::sigma_all = {{
+  GparityFlavour(GparityFlavour::Algebra::Identity),
+  GparityFlavour(GparityFlavour::Algebra::SigmaX),
+  GparityFlavour(GparityFlavour::Algebra::SigmaY),
+  GparityFlavour(GparityFlavour::Algebra::SigmaZ),
+  GparityFlavour(GparityFlavour::Algebra::ProjPlus),
+  GparityFlavour(GparityFlavour::Algebra::ProjMinus)
+}};
+
+const std::array<const char *, GparityFlavour::nSigma> GparityFlavour::name = {{
+    "SigmaX",
+    "MinusSigmaX",
+    "SigmaY",
+    "MinusSigmaY",
+    "SigmaZ",
+    "MinusSigmaZ",
+    "Identity",
+    "MinusIdentity",
+    "ProjPlus",
+    "MinusProjPlus",
+    "ProjMinus",
+    "MinusProjMinus"}};
+
+NAMESPACE_END(Grid);

Grid/qcd/gparity/GparityFlavour.h

@@ -0,0 +1,475 @@
+#ifndef GRID_QCD_GPARITY_FLAVOUR_H
+#define GRID_QCD_GPARITY_FLAVOUR_H
+
+//Support for flavour-matrix operations acting on the G-parity flavour index
+
+#include <array>
+
+NAMESPACE_BEGIN(Grid);
+
+class GparityFlavour {
+  public:
+    GRID_SERIALIZABLE_ENUM(Algebra, undef,
+                           SigmaX, 0,
+			   MinusSigmaX, 1,
+                           SigmaY, 2,
+			   MinusSigmaY, 3,
+                           SigmaZ, 4,
+			   MinusSigmaZ, 5,
+			   Identity, 6,
+			   MinusIdentity, 7,
+			   ProjPlus, 8,
+			   MinusProjPlus, 9,
+			   ProjMinus, 10,
+			   MinusProjMinus, 11
+			   );
+    static constexpr unsigned int nSigma = 12;
+    static const std::array<const char *, nSigma>                name;
+    static const std::array<const GparityFlavour, 3>             sigma_mu;
+    static const std::array<const GparityFlavour, 6>            sigma_all;
+    Algebra                                                      g;
+  public:
+  accelerator GparityFlavour(Algebra initg): g(initg) {}  
+};
+
+
+
+// 0 1  x   vector
+// 1 0
+template<class vtype>
+accelerator_inline void multFlavourSigmaX(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = rhs(1);
+  ret(1) = rhs(0);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourSigmaX(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(1,0);
+  ret(0,1) = rhs(1,1);
+  ret(1,0) = rhs(0,0);
+  ret(1,1) = rhs(0,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourSigmaX(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(0,1);
+  ret(0,1) = rhs(0,0);
+  ret(1,0) = rhs(1,1);
+  ret(1,1) = rhs(1,0);
+};
+
+
+template<class vtype>
+accelerator_inline void multFlavourMinusSigmaX(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = -rhs(1);
+  ret(1) = -rhs(0);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusSigmaX(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(1,0);
+  ret(0,1) = -rhs(1,1);
+  ret(1,0) = -rhs(0,0);
+  ret(1,1) = -rhs(0,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusSigmaX(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(0,1);
+  ret(0,1) = -rhs(0,0);
+  ret(1,0) = -rhs(1,1);
+  ret(1,1) = -rhs(1,0);
+};
+
+
+
+
+
+// 0 -i  x   vector
+// i 0
+template<class vtype>
+accelerator_inline void multFlavourSigmaY(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = timesMinusI(rhs(1));
+  ret(1) = timesI(rhs(0));
+};
+template<class vtype>
+accelerator_inline void lmultFlavourSigmaY(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = timesMinusI(rhs(1,0));
+  ret(0,1) = timesMinusI(rhs(1,1));
+  ret(1,0) = timesI(rhs(0,0));
+  ret(1,1) = timesI(rhs(0,1));
+};
+template<class vtype>
+accelerator_inline void rmultFlavourSigmaY(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = timesI(rhs(0,1));
+  ret(0,1) = timesMinusI(rhs(0,0));
+  ret(1,0) = timesI(rhs(1,1));
+  ret(1,1) = timesMinusI(rhs(1,0));
+};
+
+template<class vtype>
+accelerator_inline void multFlavourMinusSigmaY(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = timesI(rhs(1));
+  ret(1) = timesMinusI(rhs(0));
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusSigmaY(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = timesI(rhs(1,0));
+  ret(0,1) = timesI(rhs(1,1));
+  ret(1,0) = timesMinusI(rhs(0,0));
+  ret(1,1) = timesMinusI(rhs(0,1));
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusSigmaY(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = timesMinusI(rhs(0,1));
+  ret(0,1) = timesI(rhs(0,0));
+  ret(1,0) = timesMinusI(rhs(1,1));
+  ret(1,1) = timesI(rhs(1,0));
+};
+
+
+
+
+
+// 1 0  x   vector
+// 0 -1
+template<class vtype>
+accelerator_inline void multFlavourSigmaZ(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = rhs(0);
+  ret(1) = -rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourSigmaZ(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(0,0);
+  ret(0,1) = rhs(0,1);
+  ret(1,0) = -rhs(1,0);
+  ret(1,1) = -rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourSigmaZ(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(0,0);
+  ret(0,1) = -rhs(0,1);
+  ret(1,0) = rhs(1,0);
+  ret(1,1) = -rhs(1,1);
+};
+
+
+template<class vtype>
+accelerator_inline void multFlavourMinusSigmaZ(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = -rhs(0);
+  ret(1) = rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusSigmaZ(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(0,0);
+  ret(0,1) = -rhs(0,1);
+  ret(1,0) = rhs(1,0);
+  ret(1,1) = rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusSigmaZ(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(0,0);
+  ret(0,1) = rhs(0,1);
+  ret(1,0) = -rhs(1,0);
+  ret(1,1) = rhs(1,1);
+};
+
+
+
+
+
+
+template<class vtype>
+accelerator_inline void multFlavourIdentity(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = rhs(0);
+  ret(1) = rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourIdentity(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(0,0);
+  ret(0,1) = rhs(0,1);
+  ret(1,0) = rhs(1,0);
+  ret(1,1) = rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourIdentity(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = rhs(0,0);
+  ret(0,1) = rhs(0,1);
+  ret(1,0) = rhs(1,0);
+  ret(1,1) = rhs(1,1);
+};
+
+template<class vtype>
+accelerator_inline void multFlavourMinusIdentity(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = -rhs(0);
+  ret(1) = -rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusIdentity(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(0,0);
+  ret(0,1) = -rhs(0,1);
+  ret(1,0) = -rhs(1,0);
+  ret(1,1) = -rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusIdentity(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -rhs(0,0);
+  ret(0,1) = -rhs(0,1);
+  ret(1,0) = -rhs(1,0);
+  ret(1,1) = -rhs(1,1);
+};
+
+
+
+
+
+//G-parity flavour projection 1/2(1+\sigma_2)
+//1 -i
+//i  1
+template<class vtype>
+accelerator_inline void multFlavourProjPlus(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = 0.5*rhs(0) + 0.5*timesMinusI(rhs(1));
+  ret(1) = 0.5*timesI(rhs(0)) + 0.5*rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourProjPlus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = 0.5*rhs(0,0) + 0.5*timesMinusI(rhs(1,0));
+  ret(0,1) = 0.5*rhs(0,1) + 0.5*timesMinusI(rhs(1,1));
+  ret(1,0) = 0.5*timesI(rhs(0,0)) + 0.5*rhs(1,0);
+  ret(1,1) = 0.5*timesI(rhs(0,1)) + 0.5*rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourProjPlus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = 0.5*rhs(0,0) + 0.5*timesI(rhs(0,1));
+  ret(0,1) = 0.5*timesMinusI(rhs(0,0)) + 0.5*rhs(0,1);
+  ret(1,0) = 0.5*rhs(1,0) + 0.5*timesI(rhs(1,1));
+  ret(1,1) = 0.5*timesMinusI(rhs(1,0)) + 0.5*rhs(1,1);
+};
+
+
+template<class vtype>
+accelerator_inline void multFlavourMinusProjPlus(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = -0.5*rhs(0) + 0.5*timesI(rhs(1));
+  ret(1) = 0.5*timesMinusI(rhs(0)) - 0.5*rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusProjPlus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -0.5*rhs(0,0) + 0.5*timesI(rhs(1,0));
+  ret(0,1) = -0.5*rhs(0,1) + 0.5*timesI(rhs(1,1));
+  ret(1,0) = 0.5*timesMinusI(rhs(0,0)) - 0.5*rhs(1,0);
+  ret(1,1) = 0.5*timesMinusI(rhs(0,1)) - 0.5*rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusProjPlus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -0.5*rhs(0,0) + 0.5*timesMinusI(rhs(0,1));
+  ret(0,1) = 0.5*timesI(rhs(0,0)) - 0.5*rhs(0,1);
+  ret(1,0) = -0.5*rhs(1,0) + 0.5*timesMinusI(rhs(1,1));
+  ret(1,1) = 0.5*timesI(rhs(1,0)) - 0.5*rhs(1,1);
+};
+
+
+
+
+
+//G-parity flavour projection 1/2(1-\sigma_2)
+//1 i
+//-i  1
+template<class vtype>
+accelerator_inline void multFlavourProjMinus(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = 0.5*rhs(0) + 0.5*timesI(rhs(1));
+  ret(1) = 0.5*timesMinusI(rhs(0)) + 0.5*rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourProjMinus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = 0.5*rhs(0,0) + 0.5*timesI(rhs(1,0));
+  ret(0,1) = 0.5*rhs(0,1) + 0.5*timesI(rhs(1,1));
+  ret(1,0) = 0.5*timesMinusI(rhs(0,0)) + 0.5*rhs(1,0);
+  ret(1,1) = 0.5*timesMinusI(rhs(0,1)) + 0.5*rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourProjMinus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = 0.5*rhs(0,0) + 0.5*timesMinusI(rhs(0,1));
+  ret(0,1) = 0.5*timesI(rhs(0,0)) + 0.5*rhs(0,1);
+  ret(1,0) = 0.5*rhs(1,0) + 0.5*timesMinusI(rhs(1,1));
+  ret(1,1) = 0.5*timesI(rhs(1,0)) + 0.5*rhs(1,1);
+};
+
+
+template<class vtype>
+accelerator_inline void multFlavourMinusProjMinus(iVector<vtype, Ngp> &ret, const iVector<vtype, Ngp> &rhs)
+{
+  ret(0) = -0.5*rhs(0) + 0.5*timesMinusI(rhs(1));
+  ret(1) = 0.5*timesI(rhs(0)) - 0.5*rhs(1);
+};
+template<class vtype>
+accelerator_inline void lmultFlavourMinusProjMinus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -0.5*rhs(0,0) + 0.5*timesMinusI(rhs(1,0));
+  ret(0,1) = -0.5*rhs(0,1) + 0.5*timesMinusI(rhs(1,1));
+  ret(1,0) = 0.5*timesI(rhs(0,0)) - 0.5*rhs(1,0);
+  ret(1,1) = 0.5*timesI(rhs(0,1)) - 0.5*rhs(1,1);
+};
+template<class vtype>
+accelerator_inline void rmultFlavourMinusProjMinus(iMatrix<vtype, Ngp> &ret, const iMatrix<vtype, Ngp> &rhs)
+{
+  ret(0,0) = -0.5*rhs(0,0) + 0.5*timesI(rhs(0,1));
+  ret(0,1) = 0.5*timesMinusI(rhs(0,0)) - 0.5*rhs(0,1);
+  ret(1,0) = -0.5*rhs(1,0) + 0.5*timesI(rhs(1,1));
+  ret(1,1) = 0.5*timesMinusI(rhs(1,0)) - 0.5*rhs(1,1);
+};
+
+
+
+
+
+
+
+
+
+
+template<class vtype> 
+accelerator_inline auto operator*(const GparityFlavour &G, const iVector<vtype, Ngp> &arg)
+->typename std::enable_if<matchGridTensorIndex<iVector<vtype, Ngp>, GparityFlavourTensorIndex>::value, iVector<vtype, Ngp>>::type
+{
+  iVector<vtype, Ngp> ret;
+
+  switch (G.g) 
+  {
+  case GparityFlavour::Algebra::SigmaX:
+    multFlavourSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaX:
+    multFlavourMinusSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaY:
+    multFlavourSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaY:
+    multFlavourMinusSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaZ:
+    multFlavourSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaZ:
+    multFlavourMinusSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::Identity:
+    multFlavourIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::MinusIdentity:
+    multFlavourMinusIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::ProjPlus:
+    multFlavourProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjPlus:
+    multFlavourMinusProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::ProjMinus:
+    multFlavourProjMinus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjMinus:
+    multFlavourMinusProjMinus(ret, arg); break;
+  default: assert(0);
+  }
+ 
+  return ret;
+}
+
+template<class vtype> 
+accelerator_inline auto operator*(const GparityFlavour &G, const iMatrix<vtype, Ngp> &arg)
+->typename std::enable_if<matchGridTensorIndex<iMatrix<vtype, Ngp>, GparityFlavourTensorIndex>::value, iMatrix<vtype, Ngp>>::type
+{
+  iMatrix<vtype, Ngp> ret;
+
+  switch (G.g) 
+  {
+  case GparityFlavour::Algebra::SigmaX:
+    lmultFlavourSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaX:
+    lmultFlavourMinusSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaY:
+    lmultFlavourSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaY:
+    lmultFlavourMinusSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaZ:
+    lmultFlavourSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaZ:
+    lmultFlavourMinusSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::Identity:
+    lmultFlavourIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::MinusIdentity:
+    lmultFlavourMinusIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::ProjPlus:
+    lmultFlavourProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjPlus:
+    lmultFlavourMinusProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::ProjMinus:
+    lmultFlavourProjMinus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjMinus:
+    lmultFlavourMinusProjMinus(ret, arg); break;  
+  default: assert(0);
+  }
+  
+  return ret;
+}
+
+template<class vtype> 
+accelerator_inline auto operator*(const iMatrix<vtype, Ngp> &arg, const GparityFlavour &G)
+->typename std::enable_if<matchGridTensorIndex<iMatrix<vtype, Ngp>, GparityFlavourTensorIndex>::value, iMatrix<vtype, Ngp>>::type
+{
+  iMatrix<vtype, Ngp> ret;
+
+  switch (G.g) 
+  {
+  case GparityFlavour::Algebra::SigmaX:
+    rmultFlavourSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaX:
+    rmultFlavourMinusSigmaX(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaY:
+    rmultFlavourSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaY:
+    rmultFlavourMinusSigmaY(ret, arg); break;
+  case GparityFlavour::Algebra::SigmaZ:
+    rmultFlavourSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::MinusSigmaZ:
+    rmultFlavourMinusSigmaZ(ret, arg); break;
+  case GparityFlavour::Algebra::Identity:
+    rmultFlavourIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::MinusIdentity:
+    rmultFlavourMinusIdentity(ret, arg); break;
+  case GparityFlavour::Algebra::ProjPlus:
+    rmultFlavourProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjPlus:
+    rmultFlavourMinusProjPlus(ret, arg); break;
+  case GparityFlavour::Algebra::ProjMinus:
+    rmultFlavourProjMinus(ret, arg); break;
+  case GparityFlavour::Algebra::MinusProjMinus:
+    rmultFlavourMinusProjMinus(ret, arg); break;
+  default: assert(0);
+  }
+
+  return ret;
+}
+
+NAMESPACE_END(Grid);
+
+#endif // include guard

Grid/qcd/hmc/GenericHMCrunner.h

@@ -129,18 +129,10 @@ public:
     Runner(S);
   }
 
-  //////////////////////////////////////////////////////////////////
+  //Use the checkpointer to initialize the RNGs and the gauge field, writing the resulting gauge field into U.
-
+  //This is called automatically by Run but may be useful elsewhere, e.g. for integrator tuning experiments
-private:
+  void initializeGaugeFieldAndRNGs(Field &U){
-  template <class SmearingPolicy>
+    if(!Resources.haveRNGs()) Resources.AddRNGs();
-  void Runner(SmearingPolicy &Smearing) {
-    auto UGrid = Resources.GetCartesian();
-    Resources.AddRNGs();
-    Field U(UGrid);
-
-    // Can move this outside?
-    typedef IntegratorType<SmearingPolicy> TheIntegrator;
-    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
     if (Parameters.StartingType == "HotStart") {
       // Hot start
@@ -167,6 +159,25 @@ private:
 	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
       exit(1);
     }
+  }
+
+
+
+  //////////////////////////////////////////////////////////////////
+
+private:
+  template <class SmearingPolicy>
+  void Runner(SmearingPolicy &Smearing) {
+    auto UGrid = Resources.GetCartesian();
+    Field U(UGrid);
+
+    initializeGaugeFieldAndRNGs(U);
+
+    typedef IntegratorType<SmearingPolicy> TheIntegrator;
+    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
+
+    // Sets the momentum filter
+    MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
 
     Smearing.set_Field(U);
 

Grid/qcd/hmc/HMC.h

@@ -34,6 +34,7 @@ directory
 			    * @brief Classes for Hybrid Monte Carlo update
 			    *
 			    * @author Guido Cossu
+			    * @author Peter Boyle
 			    */
 			   //--------------------------------------------------------------------
 #pragma once
@@ -115,22 +116,17 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogMessage
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
-              << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage << "exp(-dH) = " << prob
+    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
-              << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage
-              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
-      std::cout << GridLogMessage << "Metropolis_test -- ACCEPTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
-      std::cout << GridLogMessage << "Metropolis_test -- REJECTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -139,19 +135,68 @@ private:
   // Evolution
   /////////////////////////////////////////////////////////
   RealD evolve_hmc_step(Field &U) {
-    TheIntegrator.refresh(U, sRNG, pRNG);  // set U and initialize P and phi's
 
-    RealD H0 = TheIntegrator.S(U);  // initial state action
+    GridBase *Grid = U.Grid();
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // Mainly for DDHMC perform a random translation of U modulo volume
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Random shifting gauge field by [";
+    for(int d=0;d<Grid->Nd();d++) {
+
+      int L = Grid->GlobalDimensions()[d];
+
+      RealD rn_uniform;  random(sRNG, rn_uniform);
+
+      int shift = (int) (rn_uniform*L);
+
+      std::cout << shift;
+      if(d<Grid->Nd()-1) std::cout <<",";
+      else               std::cout <<"]\n";
+      
+      U = Cshift(U,d,shift);
+    }
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    TheIntegrator.reset_timer();
+    
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // set U and initialize P and phi's
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Refresh momenta and pseudofermions";
+    TheIntegrator.refresh(U, sRNG, pRNG);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // initial state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute initial action";
+    RealD H0 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
     std::streamsize current_precision = std::cout.precision();
     std::cout.precision(15);
-    std::cout << GridLogMessage << "Total H before trajectory = " << H0 << "\n";
+    std::cout << GridLogHMC << "Total H before trajectory = " << H0 << "\n";
     std::cout.precision(current_precision);
 
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << " Molecular Dynamics evolution ";
     TheIntegrator.integrate(U);
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
-    RealD H1 = TheIntegrator.S(U);  // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute final action";
+    RealD H1 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
+
+    
     ///////////////////////////////////////////////////////////
     if(0){
       std::cout << "------------------------- Reversibility test" << std::endl;
@@ -163,17 +208,16 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
-
     std::cout.precision(15);
-    std::cout << GridLogMessage << "Total H after trajectory  = " << H1
+
-	      << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1 << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+
     std::cout.precision(current_precision);
     
     return (H1 - H0);
   }
-  
-
-  
 
 public:
   /////////////////////////////////////////
@@ -195,10 +239,13 @@ public:
 
     // Actual updates (evolve a copy Ucopy then copy back eventually)
     unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
+
     for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
-      std::cout << GridLogMessage << "-- # Trajectory = " << traj << "\n";
+
+      std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
-      	std::cout << GridLogMessage << "-- Thermalization" << std::endl;
+      	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
       
       double t0=usecond();
@@ -207,20 +254,19 @@ public:
       DeltaH = evolve_hmc_step(Ucopy);
       // Metropolis-Hastings test
       bool accept = true;
-      if (traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
+      if (Params.MetropolisTest && traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
         accept = metropolis_test(DeltaH);
       } else {
-      	std::cout << GridLogMessage << "Skipping Metropolis test" << std::endl;
+      	std::cout << GridLogHMC << "Skipping Metropolis test" << std::endl;
       }
 
       if (accept)
         Ucur = Ucopy; 
       
-     
-      
       double t1=usecond();
-      std::cout << GridLogMessage << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
+      std::cout << GridLogHMC << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
 
+      TheIntegrator.print_timer();
 
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;
@@ -228,7 +274,7 @@ public:
       	std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
         Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
       }
-      std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
+      std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
     }
   }
 

Grid/qcd/hmc/HMCResourceManager.h

@@ -72,6 +72,8 @@ class HMCResourceManager {
   typedef HMCModuleBase< BaseHmcCheckpointer<ImplementationPolicy> > CheckpointerBaseModule;
   typedef HMCModuleBase< HmcObservable<typename ImplementationPolicy::Field> > ObservableBaseModule;
   typedef ActionModuleBase< Action<typename ImplementationPolicy::Field>, GridModule > ActionBaseModule;
+  typedef typename ImplementationPolicy::Field MomentaField;
+  typedef typename ImplementationPolicy::Field Field;  
 
   // Named storage for grid pairs (std + red-black)
   std::unordered_map<std::string, GridModule> Grids;
@@ -80,6 +82,9 @@ class HMCResourceManager {
   // SmearingModule<ImplementationPolicy> Smearing;
   std::unique_ptr<CheckpointerBaseModule> CP;
 
+  // Momentum filter
+  std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> > Filter;
+  
   // A vector of HmcObservable modules
   std::vector<std::unique_ptr<ObservableBaseModule> > ObservablesList;
 
@@ -90,6 +95,7 @@ class HMCResourceManager {
 
   bool have_RNG;
   bool have_CheckPointer;
+  bool have_Filter;
 
   // NOTE: operator << is not overloaded for std::vector<string> 
   // so this function is necessary
@@ -101,7 +107,7 @@ class HMCResourceManager {
 
 
 public:
-  HMCResourceManager() : have_RNG(false), have_CheckPointer(false) {}
+  HMCResourceManager() : have_RNG(false), have_CheckPointer(false), have_Filter(false) {}
 
   template <class ReaderClass, class vector_type = vComplex >
   void initialize(ReaderClass &Read){
@@ -129,6 +135,7 @@ public:
     RNGModuleParameters RNGpar(Read);
     SetRNGSeeds(RNGpar);
 
+  
     // Observables
     auto &ObsFactory = HMC_ObservablesModuleFactory<observable_string, typename ImplementationPolicy::Field, ReaderClass>::getInstance(); 
     Read.push(observable_string);// here must check if existing...
@@ -208,6 +215,16 @@ public:
     AddGrid(s, Mod);
   }
 
+  void SetMomentumFilter( MomentumFilterBase<typename ImplementationPolicy::Field> * MomFilter) {
+    assert(have_Filter==false);
+    Filter = std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> >(MomFilter);
+    have_Filter = true;
+  }
+  MomentumFilterBase<typename ImplementationPolicy::Field> *GetMomentumFilter(void) {
+    if ( !have_Filter)
+      SetMomentumFilter(new MomentumFilterNone<typename ImplementationPolicy::Field>());
+    return Filter.get();
+  }
 
   GridCartesian* GetCartesian(std::string s = "") {
     if (s.empty()) s = Grids.begin()->first;
@@ -226,6 +243,9 @@ public:
   //////////////////////////////////////////////////////
   // Random number generators
   //////////////////////////////////////////////////////
+  
+  //Return true if the RNG objects have been instantiated
+  bool haveRNGs() const{ return have_RNG; }
 
   void AddRNGs(std::string s = "") {
     // Couple the RNGs to the GridModule tagged by s

Grid/qcd/hmc/integrators/Integrator.h

@@ -33,7 +33,6 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
-#include "MomentumFilter.h"
 
 NAMESPACE_BEGIN(Grid);
 
@@ -67,6 +66,7 @@ public:
 template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
+
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
 
@@ -119,6 +119,7 @@ protected:
     }
   } 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
@@ -130,25 +131,45 @@ protected:
 
       Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
       double start_force = usecond();
+      as[level].actions.at(a)->deriv_timer_start();
       as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+      as[level].actions.at(a)->deriv_timer_stop();
 
       std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
+      auto name = as[level].actions.at(a)->action_name();
       if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
+      DumpSliceNorm("force before Ta",force,Nd-1);
       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;
+      DumpSliceNorm("force before filter",force,Nd-1);
+      MomFilter->applyFilter(force);
+      
+      Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
+      Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      Real force_max   = std::sqrt(maxLocalNorm2(force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      as[level].actions.at(a)->deriv_log(force_abs,force_max);
+      
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force average: " << force_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force max    : " << force_max <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt average  : " << impulse_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt max      : " << impulse_max <<" "<<name<<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;
+
+      DumpSliceNorm("force after filter",force,Nd-1);
     }
 
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
-    MomFilter->applyFilter(Mom);
   }
 
   void update_U(Field& U, double ep) 
@@ -162,8 +183,12 @@ protected:
   
   void update_U(MomentaField& Mom, Field& U, double ep) 
   {
+    MomentaField MomFiltered(Mom.Grid());
+    MomFiltered = Mom;
+    MomFilter->applyFilter(MomFiltered);
+
     // exponential of Mom*U in the gauge fields case
-    FieldImplementation::update_field(Mom, U, ep);
+    FieldImplementation::update_field(MomFiltered, U, ep);
 
     // Update the smeared fields, can be implemented as observer
     Smearer.set_Field(U);
@@ -206,6 +231,66 @@ public:
   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 << " 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<<"] : "
+		  <<" force max " << as[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << as[level].actions.at(actionID)->deriv_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;
@@ -224,7 +309,6 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
-
   }
 
   void reverse_momenta()
@@ -267,15 +351,19 @@ public:
       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;
+
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
+	as[level].actions.at(actionID)->refresh_timer_start();
         as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
+	as[level].actions.at(actionID)->refresh_timer_stop();
       }
 
       // Refresh the higher representation actions
       as[level].apply(refresh_hireps, Representations, sRNG, pRNG);
     }
 
-    MomFilter->applyFilter(P);
   }
 
   // to be used by the actionlevel class to iterate
@@ -310,7 +398,9 @@ public:
         // based on the boolean is_smeared in actionID
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         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(Us);
+   	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
       }

Grid/qcd/utils/CovariantCshift.h

@@ -182,7 +182,7 @@ namespace ConjugateBC {
     GridBase *grid = Link.Grid();
     int Lmu = grid->GlobalDimensions()[mu] - 1;
 
-    Lattice<iScalar<vInteger>> coor(grid);
+    Lattice<iScalar<vInteger> > coor(grid);
     LatticeCoordinate(coor, mu);
 
     Lattice<gauge> tmp(grid);

Grid/qcd/utils/MixedPrecisionOperatorFunction.h

@@ -0,0 +1,111 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: 
+
+Copyright (C) 2015-2016
+
+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 */
+
+#pragma once
+
+NAMESPACE_BEGIN(Grid); 
+
+template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+
+ public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid;
+    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+     MixedPrecisionConjugateGradientOperatorFunction(RealD tol, RealD tolInner,
+						    Integer maxinnerit, 
+						    Integer maxouterit,
+						    GridBase *_SinglePrecGrid,
+                                                    FermionOperatorF &_FermOpF,
+                                                    FermionOperatorD &_FermOpD,
+						    SchurOperatorF   &_LinOpF,
+						    SchurOperatorD   &_LinOpD) : 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      InnerTolerance(tolInner), 
+      MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), 
+      SinglePrecGrid(_SinglePrecGrid),
+      OuterLoopNormMult(100.) 
+  { assert(tolInner<0.01);    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi)
+    {
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      
+      // Assumption made in code to extract gauge field
+      // We could avoid storing LinopD reference alltogether ?
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Moving this to a Clone method of fermion operator would allow to duplicate the 
+      // physics parameters and decrease gauge field copies
+      ////////////////////////////////////////////////////////////////////////////////////
+      auto &Umu_d = FermOpD.GetDoubledGaugeField();
+      auto &Umu_f = FermOpF.GetDoubledGaugeField();
+      auto &Umu_fe= FermOpF.GetDoubledGaugeFieldE();
+      auto &Umu_fo= FermOpF.GetDoubledGaugeFieldO();
+      precisionChange(Umu_f,Umu_d);
+      pickCheckerboard(Even,Umu_fe,Umu_f);
+      pickCheckerboard(Odd ,Umu_fo,Umu_f);
+
+      //////////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      //////////////////////////////////////////////////////////////////////////////////////////
+      // Could assume red black solver here and remove the SinglePrecGrid parameter???
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance, InnerTolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid,LinOpF,LinOpD);
+
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient src "<<norm2(src) <<std::endl;
+      psi=Zero();
+      MPCG(src,psi);
+    }
+  };
+NAMESPACE_END(Grid); 

Grid/random/gaussian.h

@@ -0,0 +1,200 @@
+// -*- C++ -*-
+//===--------------------------- random -----------------------------------===//
+//
+// Part of the LLVM Project, under the Apache License v2.0 with LLVM Exceptions.
+// See https://llvm.org/LICENSE.txt for license information.
+// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception
+//
+//===----------------------------------------------------------------------===//
+
+// Peter Boyle: Taken from libc++ in Clang/LLVM.
+// Reason is that libstdc++ and clang differ in their return order in the normal_distribution / box mueller type step.
+// standardise on one and call it "gaussian_distribution".
+
+#pragma once
+
+#include <cstddef>
+#include <cstdint>
+#include <cmath>
+#include <type_traits>
+#include <initializer_list>
+#include <limits>
+#include <algorithm>
+#include <numeric>
+#include <vector>
+#include <string>
+#include <istream>
+#include <ostream>
+#include <random>
+
+// normal_distribution -> gaussian distribution
+namespace Grid {
+
+template<class _RealType = double>
+class  gaussian_distribution
+{
+public:
+    // types
+    typedef _RealType result_type;
+
+    class param_type
+    {
+        result_type __mean_;
+        result_type __stddev_;
+    public:
+        typedef gaussian_distribution distribution_type;
+
+        strong_inline
+        explicit param_type(result_type __mean = 0, result_type __stddev = 1)
+            : __mean_(__mean), __stddev_(__stddev) {}
+
+        strong_inline
+        result_type mean() const {return __mean_;}
+        strong_inline
+        result_type stddev() const {return __stddev_;}
+
+        friend strong_inline
+            bool operator==(const param_type& __x, const param_type& __y)
+            {return __x.__mean_ == __y.__mean_ && __x.__stddev_ == __y.__stddev_;}
+        friend strong_inline
+            bool operator!=(const param_type& __x, const param_type& __y)
+            {return !(__x == __y);}
+    };
+
+private:
+    param_type __p_;
+    result_type _V_;
+    bool _V_hot_;
+
+public:
+    // constructors and reset functions
+    strong_inline
+    explicit gaussian_distribution(result_type __mean = 0, result_type __stddev = 1)
+        : __p_(param_type(__mean, __stddev)), _V_hot_(false) {}
+    strong_inline
+    explicit gaussian_distribution(const param_type& __p)
+        : __p_(__p), _V_hot_(false) {}
+    strong_inline
+    void reset() {_V_hot_ = false;}
+
+    // generating functions
+    template<class _URNG>
+        strong_inline
+        result_type operator()(_URNG& __g)
+        {return (*this)(__g, __p_);}
+    template<class _URNG> result_type operator()(_URNG& __g, const param_type& __p);
+
+    // property functions
+    strong_inline
+    result_type mean() const {return __p_.mean();}
+    strong_inline
+    result_type stddev() const {return __p_.stddev();}
+
+    strong_inline
+    param_type param() const {return __p_;}
+    strong_inline
+    void param(const param_type& __p) {__p_ = __p;}
+
+    strong_inline
+    result_type min() const {return -std::numeric_limits<result_type>::infinity();}
+    strong_inline
+    result_type max() const {return std::numeric_limits<result_type>::infinity();}
+
+    friend strong_inline
+        bool operator==(const gaussian_distribution& __x,
+                        const gaussian_distribution& __y)
+        {return __x.__p_ == __y.__p_ && __x._V_hot_ == __y._V_hot_ &&
+                (!__x._V_hot_ || __x._V_ == __y._V_);}
+    friend strong_inline
+        bool operator!=(const gaussian_distribution& __x,
+                        const gaussian_distribution& __y)
+        {return !(__x == __y);}
+
+    template <class _CharT, class _Traits, class _RT>
+    friend
+    std::basic_ostream<_CharT, _Traits>&
+    operator<<(std::basic_ostream<_CharT, _Traits>& __os,
+               const gaussian_distribution<_RT>& __x);
+
+    template <class _CharT, class _Traits, class _RT>
+    friend
+    std::basic_istream<_CharT, _Traits>&
+    operator>>(std::basic_istream<_CharT, _Traits>& __is,
+               gaussian_distribution<_RT>& __x);
+};
+
+template <class _RealType>
+template<class _URNG>
+_RealType
+gaussian_distribution<_RealType>::operator()(_URNG& __g, const param_type& __p)
+{
+    result_type _Up;
+    if (_V_hot_)
+    {
+        _V_hot_ = false;
+        _Up = _V_;
+    }
+    else
+    {
+        std::uniform_real_distribution<result_type> _Uni(-1, 1);
+        result_type __u;
+        result_type __v;
+        result_type __s;
+        do
+        {
+            __u = _Uni(__g);
+            __v = _Uni(__g);
+            __s = __u * __u + __v * __v;
+        } while (__s > 1 || __s == 0);
+        result_type _Fp = std::sqrt(-2 * std::log(__s) / __s);
+        _V_ = __v * _Fp;
+        _V_hot_ = true;
+        _Up = __u * _Fp;
+    }
+    return _Up * __p.stddev() + __p.mean();
+}
+
+template <class _CharT, class _Traits, class _RT>
+std::basic_ostream<_CharT, _Traits>&
+operator<<(std::basic_ostream<_CharT, _Traits>& __os,
+           const gaussian_distribution<_RT>& __x)
+{
+    auto __save_flags = __os.flags();
+    __os.flags(std::ios_base::dec | std::ios_base::left | std::ios_base::fixed |
+               std::ios_base::scientific);
+    _CharT __sp = __os.widen(' ');
+    __os.fill(__sp);
+    __os << __x.mean() << __sp << __x.stddev() << __sp << __x._V_hot_;
+    if (__x._V_hot_)
+        __os << __sp << __x._V_;
+    __os.flags(__save_flags);
+    return __os;
+}
+
+template <class _CharT, class _Traits, class _RT>
+std::basic_istream<_CharT, _Traits>&
+operator>>(std::basic_istream<_CharT, _Traits>& __is,
+           gaussian_distribution<_RT>& __x)
+{
+    typedef gaussian_distribution<_RT> _Eng;
+    typedef typename _Eng::result_type result_type;
+    typedef typename _Eng::param_type param_type;
+    auto __save_flags = __is.flags();
+    __is.flags(std::ios_base::dec | std::ios_base::skipws);
+    result_type __mean;
+    result_type __stddev;
+    result_type _Vp = 0;
+    bool _V_hot = false;
+    __is >> __mean >> __stddev >> _V_hot;
+    if (_V_hot)
+        __is >> _Vp;
+    if (!__is.fail())
+    {
+        __x.param(param_type(__mean, __stddev));
+        __x._V_hot_ = _V_hot;
+        __x._V_ = _Vp;
+    }
+    __is.flags(__save_flags);
+    return __is;
+}
+}

Grid/stencil/Stencil.h

@@ -263,7 +263,8 @@ public:
   int face_table_computed;
   std::vector<commVector<std::pair<int,int> > > face_table ;
   Vector<int> surface_list;
-
+  bool locally_periodic;
+  
   stencilVector<StencilEntry>  _entries; // Resident in managed memory
   commVector<StencilEntry>     _entries_device; // Resident in managed memory
   std::vector<Packet> Packets;
@@ -320,7 +321,7 @@ public:
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 ;
+    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
 
     int recv_from_rank;
     int xmit_to_rank;
@@ -328,6 +329,7 @@ public:
     if ( ! comm_dim ) return 1;
     if ( displacement == 0 ) return 1;
     return 0;
+
   }
 
   //////////////////////////////////////////
@@ -473,7 +475,7 @@ public:
 
     // the permute type
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 ;
+    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
     int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
 
     int is_same_node = 1;
@@ -657,6 +659,20 @@ public:
 		   const std::vector<int> &directions,
 		   const std::vector<int> &distances,
 		   Parameters p)
+    : CartesianStencil(grid,
+		       npoints,
+		       checkerboard,
+		       directions,
+		       distances,
+		       false,
+		       p){};
+  CartesianStencil(GridBase *grid,
+		   int npoints,
+		   int checkerboard,
+		   const std::vector<int> &directions,
+		   const std::vector<int> &distances,
+		   bool _locally_periodic,
+		   Parameters p)
     : shm_bytes_thr(npoints),
       comm_bytes_thr(npoints),
       comm_enter_thr(npoints),
@@ -665,6 +681,7 @@ public:
   {
     face_table_computed=0;
     _grid    = grid;
+    this->locally_periodic=_locally_periodic;
     this->parameters=p;
     /////////////////////////////////////
     // Initialise the base
@@ -690,6 +707,8 @@ public:
       int point = i;
 
       int dimension    = directions[i];
+      assert(dimension>=0 && dimension<_grid->Nd());
+
       int displacement = distances[i];
       int shift = displacement;
 
@@ -703,7 +722,7 @@ public:
       // the permute type
       //////////////////////////
       int simd_layout     = _grid->_simd_layout[dimension];
-      int comm_dim        = _grid->_processors[dimension] >1 ;
+      int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
       int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
       int rotate_dim      = _grid->_simd_layout[dimension]>2;
 
@@ -817,7 +836,7 @@ public:
     int pd              = _grid->_processors[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
     int comm_dim        = _grid->_processors[dimension] >1 ;
-
+    assert(locally_periodic==false);
     assert(comm_dim==1);
     int shift = (shiftpm + fd) %fd;
     assert(shift>=0);
@@ -997,6 +1016,7 @@ public:
     int pd              = _grid->_processors[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
     int comm_dim        = _grid->_processors[dimension] >1 ;
+    assert(locally_periodic==false);
     assert(simd_layout==1);
     assert(comm_dim==1);
     assert(shift>=0);
@@ -1089,6 +1109,7 @@ public:
     int pd              = _grid->_processors[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
     int comm_dim        = _grid->_processors[dimension] >1 ;
+    assert(locally_periodic==false);
     assert(comm_dim==1);
     // This will not work with a rotate dim
     assert(simd_layout==maxl);

Grid/tensors/Tensor_exp.h

@@ -52,12 +52,17 @@ template<class vtype, int N> accelerator_inline iVector<vtype, N> Exponentiate(c
   return ret;
 }
 
-
-
 // Specialisation: Cayley-Hamilton exponential for SU(3)
-#ifndef GRID_CUDA
+#if 0
 template<class vtype, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0>::type * =nullptr> 
-accelerator_inline iMatrix<vtype,3> Exponentiate(const iMatrix<vtype,3> &arg, RealD alpha  , Integer Nexp = DEFAULT_MAT_EXP )
+accelerator_inline iMatrix<vtype,3> Exponentiated(const iMatrix<vtype,3> &arg, RealD alpha  , Integer Nexp = DEFAULT_MAT_EXP )
+{
+  return ExponentiateCayleyHamilton(arg,alpha);
+}
+#endif
+
+template<class vtype, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0>::type * =nullptr> 
+accelerator_inline iMatrix<vtype,3> ExponentiateCayleyHamilton(const iMatrix<vtype,3> &arg, RealD alpha )
 {
   // for SU(3) 2x faster than the std implementation using Nexp=12
   // notice that it actually computes
@@ -115,8 +120,6 @@ accelerator_inline iMatrix<vtype,3> Exponentiate(const iMatrix<vtype,3> &arg, Re
 
   return (f0 * unit + timesMinusI(f1) * arg*alpha - f2 * iQ2);
 }
-#endif
-
 
 // General exponential
 template<class vtype,int N, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0 >::type * =nullptr> 
@@ -129,8 +132,8 @@ accelerator_inline iMatrix<vtype,N> Exponentiate(const iMatrix<vtype,N> &arg, Re
   typedef iMatrix<vtype,N> mat;
   mat unit(1.0);
   mat temp(unit);
-  for(int i=Nexp; i>=1;--i){
+  for(int n=Nexp; n>=1;--n){
-    temp *= alpha/RealD(i);
+    temp *= alpha/RealD(n);
     temp = unit + temp*arg;
   }
   return temp;

Grid/tensors/Tensor_extract_merge.h

@@ -208,5 +208,46 @@ void merge(vobj &vec,const ExtractPointerArray<sobj> &extracted, int offset)
 }
 
 
+
+//////////////////////////////////////////////////////////////////////////////////
+//Copy a single lane of a SIMD tensor type from one object to another
+//Output object must be of the same tensor type but may be of a different precision (i.e. it can have a different root data type)
+///////////////////////////////////////////////////////////////////////////////////
+template<class vobjOut, class vobjIn>
+accelerator_inline 
+void copyLane(vobjOut & __restrict__ vecOut, int lane_out, const vobjIn & __restrict__ vecIn, int lane_in)
+{
+  static_assert( std::is_same<typename vobjOut::DoublePrecision, typename vobjIn::DoublePrecision>::value == 1, "copyLane: tensor types must be the same" ); //if tensor types are same the DoublePrecision type must be the same
+
+  typedef typename vobjOut::vector_type ovector_type;  
+  typedef typename vobjIn::vector_type ivector_type;  
+  constexpr int owords=sizeof(vobjOut)/sizeof(ovector_type);
+  constexpr int iwords=sizeof(vobjIn)/sizeof(ivector_type);
+  static_assert( owords == iwords, "copyLane: Expected number of vector words in input and output objects to be equal" );
+
+  typedef typename vobjOut::scalar_type oscalar_type;  
+  typedef typename vobjIn::scalar_type iscalar_type;  
+  typedef typename ExtractTypeMap<oscalar_type>::extract_type oextract_type;
+  typedef typename ExtractTypeMap<iscalar_type>::extract_type iextract_type;
+
+  typedef oextract_type * opointer;
+  typedef iextract_type * ipointer;
+
+  constexpr int oNsimd=ovector_type::Nsimd();
+  constexpr int iNsimd=ivector_type::Nsimd();
+
+  iscalar_type itmp;
+  oscalar_type otmp;
+
+  opointer __restrict__  op = (opointer)&vecOut;
+  ipointer __restrict__  ip = (ipointer)&vecIn;
+  for(int w=0;w<owords;w++){
+    memcpy( (char*)&itmp, (char*)(ip + lane_in + iNsimd*w), sizeof(iscalar_type) );
+    otmp = itmp; //potential precision change
+    memcpy( (char*)(op + lane_out + oNsimd*w), (char*)&otmp, sizeof(oscalar_type) );
+  }
+}
+
+
 NAMESPACE_END(Grid);
 

Grid/threads/Accelerator.h

@@ -133,11 +133,7 @@ inline void cuda_mem(void)
     };									\
     dim3 cu_threads(nsimd,acceleratorThreads(),1);			\
     dim3 cu_blocks ((num1+nt-1)/nt,num2,1);				\
-    std::cout << "========================== CUDA KERNEL CALL\n";	\
-    cuda_mem();								\
     LambdaApply<<<cu_blocks,cu_threads>>>(num1,num2,nsimd,lambda);	\
-    cuda_mem();								\
-    std::cout << "========================== CUDA KERNEL DONE\n";	\
   }
 
 #define accelerator_for6dNB(iter1, num1,				\
@@ -209,7 +205,7 @@ inline void *acceleratorAllocShared(size_t bytes)
   auto err = cudaMallocManaged((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMallocManaged failed for %d %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };
@@ -219,7 +215,7 @@ inline void *acceleratorAllocDevice(size_t bytes)
   auto err = cudaMalloc((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMalloc failed for %d %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };

HMC/DWF2p1fIwasakiGparity.cc

@@ -0,0 +1,473 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/DWF2p1fIwasakiGparity.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@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 */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//2+1f DWF+I ensemble with G-parity BCs
+//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  RatQuoParameters, rat_quo_l,
+				  RatQuoParameters, rat_quo_s);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr){
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+      
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+}
+
+
+
+
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "Params", user_params);
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+   // Typedefs to simplify notation
+  typedef GparityDomainWallFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityDomainWallFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.032;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+
+  //Setup the Grids
+  auto GridPtrD   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
+
+  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(GridPtrD);
+  LatticeGaugeFieldF Uf(GridPtrF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light action
+  /////////////////////////////////////////////////////////////
+
+  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
+  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
+  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_l;
+  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_l.precision= 60;
+  rat_act_params_l.MaxIter  = 10000;
+  user_params.rat_quo_l.Export(rat_act_params_l);
+  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+ 
+  MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
+  //DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
+  Level1.push_back(&Quotient_l);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  //DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
+  std::string lanc_params_l, lanc_params_s;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
+    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
+    else if(sarg == "--eigenrange_l"){
+      assert(i < argc-1);
+      eigenrange_l=true;
+      lanc_params_l = argv[i+1];
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+  }
+  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main
+

HMC/DWF2p1fIwasakiGparityRHMCdouble.cc

@@ -0,0 +1,473 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/DWF2p1fIwasakiGparity.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@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 */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//2+1f DWF+I ensemble with G-parity BCs
+//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  RatQuoParameters, rat_quo_l,
+				  RatQuoParameters, rat_quo_s);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr){
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+      
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+}
+
+
+
+
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "Params", user_params);
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+   // Typedefs to simplify notation
+  typedef GparityDomainWallFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityDomainWallFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.032;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+
+  //Setup the Grids
+  auto GridPtrD   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
+
+  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(GridPtrD);
+  LatticeGaugeFieldF Uf(GridPtrF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light action
+  /////////////////////////////////////////////////////////////
+
+  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
+  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
+  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_l;
+  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_l.precision= 60;
+  rat_act_params_l.MaxIter  = 10000;
+  user_params.rat_quo_l.Export(rat_act_params_l);
+  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+ 
+  //MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
+  DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
+  Level1.push_back(&Quotient_l);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
+  std::string lanc_params_l, lanc_params_s;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
+    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
+    else if(sarg == "--eigenrange_l"){
+      assert(i < argc-1);
+      eigenrange_l=true;
+      lanc_params_l = argv[i+1];
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+  }
+  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main
+

HMC/Mobius2f.cc

@@ -0,0 +1,170 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@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 */
+#include <Grid/Grid.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 12;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 17;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_2fDWF_lat";
+  CPparams.rng_prefix    = "ckpoint_2fDWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+
+  std::vector<Real> hasenbusch({ 0.1, 0.4, 0.7 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2f_DDHMC_mixed.cc

@@ -0,0 +1,386 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+nnSource file: 
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@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 */
+#include <Grid/Grid.h>
+
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Impl>
+class DomainLocalTwoFlavourEvenOddRatioPseudoFermionAction
+  : public TwoFlavourEvenOddRatioPseudoFermionAction<Impl>
+{
+public:
+  INHERIT_IMPL_TYPES(Impl);
+  Coordinate Block;
+  DomainDecomposition Domains;
+  DomainLocalTwoFlavourEvenOddRatioPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+						       FermionOperator<Impl>  &_DenOp, 
+						       OperatorFunction<FermionField> & DS,
+						       OperatorFunction<FermionField> & AS,
+						       OperatorFunction<FermionField> & HS,
+						       Coordinate &_Block ) :
+    Block(_Block),
+    Domains(_Block),
+    TwoFlavourEvenOddRatioPseudoFermionAction<Impl>(_NumOp,_DenOp,DS,AS,HS)
+    {};
+  virtual void refreshRestrict(FermionField &eta)
+  {
+    Domains.ProjectDomain(eta,0);
+    DumpSliceNorm("refresh Restrict eta",eta);
+  };
+};
+
+#define MIXED_PRECISION
+
+NAMESPACE_END(Grid);
+
+int main(int argc, char **argv)
+{
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FimplD;
+  typedef WilsonImplF FimplF;
+  typedef FermionOperator<FimplF> FermionOperatorF;
+  typedef FermionOperator<FimplD> FermionOperatorD;
+  typedef MobiusFermionR FermionActionD;
+  typedef MobiusFermionF FermionActionF;
+  typedef DirichletFermionOperator<WilsonImplR> DirichletFermionD;
+  typedef DirichletFermionOperator<WilsonImplF> DirichletFermionF;
+
+  typedef MobiusEOFAFermionR FermionEOFAAction;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+  
+  typedef SchurDiagMooeeOperator<FermionOperator<FimplF>,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeOperator<FermionOperator<FimplD>,FermionFieldD> LinearOperatorD;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<FimplF>,FermionFieldF> LinearOperatorDagF;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<FimplD>,FermionFieldD> LinearOperatorDagD;
+  
+  typedef Grid::XmlReader       Serialiser;
+  
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper; 
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
+  /*
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 4; // dH = 0.08
+  //  MD.MDsteps = 3; // dH = 0.8
+  MD.trajL   = 1.0;
+  */
+  
+  HMCparameters HMCparams;
+  {
+    XmlReader  HMCrd("HMCparameters.xml");
+    read(HMCrd,"HMCparameters",HMCparams);
+    std::cout << GridLogMessage<< HMCparams <<std::endl;
+  }
+  HMCWrapper TheHMC(HMCparams);
+  /*
+  HMCparams.StartTrajectory  = 66;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  //  "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  // HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  */
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+  
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_DDHMC_lat";
+  CPparams.rng_prefix    = "ckpoint_DDHMC_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Momentum Dirichlet
+  Coordinate Block({0,0,0,24});
+  
+  TheHMC.Resources.SetMomentumFilter(new DDHMCFilter<WilsonImplR::Field>(Block));
+  // Construct observables
+  // here there is too much indirection 
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  //  Real light_mass   = 0.04;
+  Real light_mass   = 0.01;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0; 
+  RealD c   = 0.0;
+
+  std::vector<Real> hasenbusch({ 0.1, 0.4, 0.7 });
+  
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  Coordinate latt  = GridDefaultLatt();
+  Coordinate mpi   = GridDefaultMpi();
+  Coordinate simdF = GridDefaultSimd(Nd,vComplexF::Nsimd());
+  Coordinate simdD = GridDefaultSimd(Nd,vComplexD::Nsimd());
+
+  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
+  auto GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeFieldF UF(GridPtrF);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionActionD::ImplParams Params(boundary);
+  FermionActionD::ImplParams DirichletParams(boundary);
+  DirichletParams.locally_periodic=true;
+  
+  double ActionStoppingCondition     = 1e-10;
+  double DerivativeStoppingCondition = 1e-10;
+  //  double BoundaryDerivativeStoppingCondition = 1e-10; decent acceptance
+  double BoundaryDerivativeStoppingCondition = 1e-7;   // decent acceptance
+  //  double BoundaryDerivativeStoppingCondition = 1e-6;  // bit bigger not huge
+  //  double BoundaryDerivativeStoppingCondition = 1e-5; // Large dH poor acceptance
+  double MaxCGIterations = 30000;
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(3);
+  ActionLevel<HMCWrapper::Field> Level3(8);
+
+  ConjugateGradient<FermionFieldD>      ActionCG(ActionStoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionFieldD>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  //////////////////////////////////////////////////////////////
+  // Forced to replicate the MxPCG and DenominatorsF etc.. because
+  // there is no convenient way to "Clone" physics params from double op
+  // into single op for any operator pair.
+  // Same issue prevents using MxPCG in the Heatbath step
+  //////////////////////////////////////////////////////////////
+
+  /////////////////////////////////////////////////
+  // These are consumed/owned by the Dirichlet wrappers
+  /////////////////////////////////////////////////
+  std::vector<FermionActionD *> DNumeratorsD;
+  std::vector<FermionActionF *> DNumeratorsF;
+  std::vector<FermionActionD *> DDenominatorsD;
+  std::vector<FermionActionF *> DDenominatorsF;
+
+  /////////////////////////////////////////////////
+  // Dirichlet wrappers
+  /////////////////////////////////////////////////
+  std::vector<DirichletFermionD *> DirichletNumeratorsD;
+  std::vector<DirichletFermionF *> DirichletNumeratorsF;
+  std::vector<DirichletFermionD *> DirichletDenominatorsD;
+  std::vector<DirichletFermionF *> DirichletDenominatorsF;
+  
+  std::vector<DomainLocalTwoFlavourEvenOddRatioPseudoFermionAction<FimplD> *> Quotients;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionOperatorD,
+							  FermionOperatorF,
+							  LinearOperatorD,
+							  LinearOperatorF> MxPCG;
+  std::vector<MxPCG *> ActionMPCG;
+  std::vector<MxPCG *> MPCG;
+  std::vector<LinearOperatorD *> LinOpD;
+  std::vector<LinearOperatorF *> LinOpF; 
+
+  int MX_inner = 1000;
+  RealD MX_tol = 1.0e-5;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+
+    DNumeratorsD.push_back (new FermionActionD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, DirichletParams));
+    DNumeratorsF.push_back (new FermionActionF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_num[h],M5,b,c, DirichletParams));
+    DDenominatorsD.push_back(new FermionActionD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, DirichletParams));
+    DDenominatorsF.push_back(new FermionActionF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[h],M5,b,c, DirichletParams));
+
+    DirichletNumeratorsD.push_back  (new  DirichletFermionD(*DNumeratorsD[h],Block));
+    DirichletNumeratorsF.push_back  (new  DirichletFermionF(*DNumeratorsF[h],Block));
+    DirichletDenominatorsD.push_back(new  DirichletFermionD(*DDenominatorsD[h],Block));
+    DirichletDenominatorsF.push_back(new  DirichletFermionF(*DDenominatorsF[h],Block));
+
+    // Dirichlet Schur even odd MpsDagMpc operators on local domains
+    LinOpD.push_back(new LinearOperatorD(*DirichletDenominatorsD[h]));
+    LinOpF.push_back(new LinearOperatorF(*DirichletDenominatorsF[h]));
+
+    // Derivative
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,MX_tol,
+			     MX_inner,
+			     MaxCGIterations,
+			     FrbGridF,
+			     *DirichletDenominatorsF[h],*DirichletDenominatorsD[h],
+			     *LinOpF[h], *LinOpD[h]) );
+
+    // Action
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
+				   MX_inner,
+				   MaxCGIterations,
+				   FrbGridF,
+				   *DirichletDenominatorsF[h],*DirichletDenominatorsD[h],
+				   *LinOpF[h], *LinOpD[h]) );
+    
+    ////////////////////////////////////////////////////////////////////////////
+    // Standard CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+    Quotients.push_back   (new
+			   DomainLocalTwoFlavourEvenOddRatioPseudoFermionAction<FimplD>
+			   (*DirichletNumeratorsD[h],
+			    *DirichletDenominatorsD[h],
+			    *MPCG[h],
+			    *ActionMPCG[h],
+			    ActionCG,Block));
+
+    Level2.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Boundary action
+  /////////////////////////////////////////////////////////////
+
+  int l_idx = 0;
+  int pv_idx = n_hasenbusch;
+  RealD h_mass = 0.012;
+  std::cout << GridLogMessage<<" Boundary action masses " <<light_num[l_idx]<<" / "<<light_den[pv_idx]<<std::endl;
+
+
+  // OmegaBar cross domain boundary and is used in Boundary operator, so no locally_periodic hack in the boundary det
+  // Dirichlet is applied in gauge link only. OmegaBar solve is too expensive. Monitor cost.
+  FermionActionD    PeriNumeratorD  (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[pv_idx],M5,b,c, Params);
+  FermionActionF    PeriNumeratorF  (UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_num[pv_idx],M5,b,c, Params);
+  FermionActionD    DirichletNumeratorDD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[pv_idx],M5,b,c, Params);
+  FermionActionF    DirichletNumeratorFF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_num[pv_idx],M5,b,c, Params);
+  DirichletFermionD DirichletNumeratorD  (DirichletNumeratorDD,Block);
+  DirichletFermionF DirichletNumeratorF  (DirichletNumeratorFF,Block);
+
+  FermionActionD    PeriDenominatorD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[l_idx] ,M5,b,c, Params);
+  FermionActionF    PeriDenominatorF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[l_idx] ,M5,b,c, Params);
+  FermionActionD    DirichletDenominatorDD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[l_idx] ,M5,b,c, Params);
+  FermionActionF    DirichletDenominatorFF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[l_idx] ,M5,b,c, Params);
+  DirichletFermionD DirichletDenominatorD(DirichletDenominatorDD,Block);
+  DirichletFermionF DirichletDenominatorF(DirichletDenominatorFF,Block);
+
+  FermionActionD    PeriHasenD  (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,h_mass ,M5,b,c, Params);
+  FermionActionF    PeriHasenF  (UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,h_mass,M5,b,c, Params);
+  FermionActionD    DHasenD(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,h_mass,M5,b,c, Params);
+  FermionActionF    DHasenF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,h_mass,M5,b,c, Params);
+  DirichletFermionD DirichletHasenD(DHasenD,Block);
+  DirichletFermionF DirichletHasenF(DHasenF,Block);
+  
+  SchurFactoredFermionOperator<FimplD,FimplF> BoundaryNumerator(PeriNumeratorD,PeriNumeratorF,
+								DirichletNumeratorD,DirichletNumeratorF,
+								Block);
+
+  SchurFactoredFermionOperator<FimplD,FimplF> BoundaryDenominator(PeriDenominatorD,PeriDenominatorF,
+								  DirichletDenominatorD,DirichletDenominatorF,
+								  Block);
+
+  SchurFactoredFermionOperator<FimplD,FimplF> BoundaryHasen(PeriHasenD,PeriHasenF,
+							    DirichletHasenD,DirichletHasenF,
+							    Block);
+
+#if 1
+  std::cout << GridLogMessage << " Boundary NO ratio "<< std::endl;
+  MX_tol = 1.0e-5;
+  Level1.push_back(new
+		   DomainDecomposedBoundaryTwoFlavourPseudoFermion<FimplD,FimplF>
+		   (BoundaryDenominator,
+		    BoundaryDerivativeStoppingCondition,ActionStoppingCondition,MX_tol));
+  Level1.push_back(new
+		   DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion<FimplD,FimplF>
+		   (BoundaryNumerator,
+		    BoundaryDerivativeStoppingCondition,ActionStoppingCondition,MX_tol));
+#else
+  Level1.push_back(new
+		   DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion<FimplD,FimplF>
+		   (BoundaryNumerator,
+		    BoundaryDenominator,
+		    BoundaryDerivativeStoppingCondition,ActionStoppingCondition));
+#endif
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1fEOFA.cc

@@ -33,137 +33,8 @@ directory
 #ifdef GRID_DEFAULT_PRECISION_DOUBLE
 #define MIXED_PRECISION
 #endif
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
 
-NAMESPACE_BEGIN(Grid);
-
-  /*
-   * Need a plan for gauge field update for mixed precision in HMC                      (2x speed up)
-   *    -- Store the single prec action operator.
-   *    -- Clone the gauge field from the operator function argument.
-   *    -- Build the mixed precision operator dynamically from the passed operator and single prec clone.
-   */
-
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-      /* Debugging instances of objects; references are stored
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpF " <<std::hex<< &LinOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpD " <<std::hex<< &LinOpD<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpF " <<std::hex<< &FermOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpD " <<std::hex<< &FermOpD<<std::dec <<std::endl;
-      */
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpU " <<std::hex<< &(SchurOpU->_Mat)<<std::dec <<std::endl;
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpD " <<std::hex<< &(LinOpD._Mat) <<std::dec <<std::endl;
-      // Assumption made in code to extract gauge field
-      // We could avoid storing LinopD reference alltogether ?
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Must snarf a single precision copy of the gauge field in Linop_d argument
-      ////////////////////////////////////////////////////////////////////////////////////
-      typedef typename FermionOperatorF::GaugeField GaugeFieldF;
-      typedef typename FermionOperatorF::GaugeLinkField GaugeLinkFieldF;
-      typedef typename FermionOperatorD::GaugeField GaugeFieldD;
-      typedef typename FermionOperatorD::GaugeLinkField GaugeLinkFieldD;
-
-      GridBase * GridPtrF = SinglePrecGrid4;
-      GridBase * GridPtrD = FermOpD.Umu.Grid();
-      GaugeFieldF     U_f  (GridPtrF);
-      GaugeLinkFieldF Umu_f(GridPtrF);
-      //      std::cout << " Dim gauge field "<<GridPtrF->Nd()<<std::endl; // 4d
-      //      std::cout << " Dim gauge field "<<GridPtrD->Nd()<<std::endl; // 4d
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Moving this to a Clone method of fermion operator would allow to duplicate the 
-      // physics parameters and decrease gauge field copies
-      ////////////////////////////////////////////////////////////////////////////////////
-      GaugeLinkFieldD Umu_d(GridPtrD);
-      for(int mu=0;mu<Nd*2;mu++){ 
-	Umu_d = PeekIndex<LorentzIndex>(FermOpD.Umu, mu);
-	precisionChange(Umu_f,Umu_d);
-	PokeIndex<LorentzIndex>(FermOpF.Umu, Umu_f, mu);
-      }
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Could test to make sure that LinOpF and LinOpD agree to single prec?
-      ////////////////////////////////////////////////////////////////////////////////////
-      /*
-      GridBase *Fgrid = psi._grid;
-      FieldD tmp2(Fgrid);
-      FieldD tmp1(Fgrid);
-      LinOpU.Op(src,tmp1);
-      LinOpD.Op(src,tmp2);
-      std::cout << " Double gauge field "<< norm2(FermOpD.Umu)<<std::endl;
-      std::cout << " Single gauge field "<< norm2(FermOpF.Umu)<<std::endl;
-      std::cout << " Test of operators "<<norm2(tmp1)<<std::endl;
-      std::cout << " Test of operators "<<norm2(tmp2)<<std::endl;
-      tmp1=tmp1-tmp2;
-      std::cout << " Test of operators diff "<<norm2(tmp1)<<std::endl;
-      */
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-NAMESPACE_END(Grid);
 
 int main(int argc, char **argv) {
   using namespace Grid;
@@ -190,18 +61,18 @@ int main(int argc, char **argv) {
   //  MD.name    = std::string("Leap Frog");
   typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
   MD.name    = std::string("Force Gradient");
-  //  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
+  //typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
-  //  MD.name    = std::string("MinimumNorm2");
+  //MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 6;
+  MD.MDsteps = 15;
   MD.trajL   = 1.0;
   
   HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 590;
+  HMCparams.StartTrajectory  = 0;
   HMCparams.Trajectories     = 1000;
-  HMCparams.NoMetropolisUntil=  0;
+  HMCparams.NoMetropolisUntil=  10;
   //  "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("ColdStart");
-  HMCparams.StartingType     =std::string("CheckpointStart");
+  //HMCparams.StartingType     =std::string("CheckpointStart");
   HMCparams.MD = MD;
   HMCWrapper TheHMC(HMCparams);
 
@@ -209,9 +80,9 @@ int main(int argc, char **argv) {
   TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
   
   CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.config_prefix = "ckpoint_EOFA_lat";
-  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  CPparams.rng_prefix    = "ckpoint_EOFA_rng";
-  CPparams.saveInterval  = 10;
+  CPparams.saveInterval  = 1;
   CPparams.format        = "IEEE64BIG";
   TheHMC.Resources.LoadNerscCheckpointer(CPparams);
 
@@ -226,16 +97,16 @@ int main(int argc, char **argv) {
   TheHMC.Resources.AddObservable<PlaqObs>();
   //////////////////////////////////////////////
 
-  const int Ls      = 16;
+  const int Ls      = 24;
   Real beta         = 2.13;
-  Real light_mass   = 0.01;
+  Real light_mass   = 0.005;
-  Real strange_mass = 0.04;
+  Real strange_mass = 0.0362;
   Real pv_mass      = 1.0;
   RealD M5  = 1.8;
-  RealD b   = 1.0; 
+  RealD b   = 1.5; 
-  RealD c   = 0.0;
+  RealD c   = 0.5;
 
-  std::vector<Real> hasenbusch({ 0.1, 0.3, 0.6 });
+  std::vector<Real> hasenbusch({ 0.02, 0.2, 0.6 });
 
   auto GridPtr   = TheHMC.Resources.GetCartesian();
   auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
@@ -263,7 +134,7 @@ int main(int argc, char **argv) {
   FermionActionF::ImplParams ParamsF(boundary);
   
   double ActionStoppingCondition     = 1e-10;
-  double DerivativeStoppingCondition = 1e-6;
+  double DerivativeStoppingCondition = 1e-8;
   double MaxCGIterations = 30000;
 
   ////////////////////////////////////
@@ -302,40 +173,37 @@ int main(int argc, char **argv) {
   ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
 #ifdef MIXED_PRECISION
   const int MX_inner = 1000;
+  const RealD MX_tol = 1.0e-6;
   // Mixed precision EOFA
   LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
   LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
   LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
   LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
 
-  MxPCG_EOFA ActionCGL(ActionStoppingCondition,
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition,MX_tol,
 		       MX_inner,
 		       MaxCGIterations,
-		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_LF,Strange_Op_L,
 		       Strange_LinOp_LF,Strange_LinOp_L);
 
-  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,MX_tol,
 			   MX_inner,
 			   MaxCGIterations,
-			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_LF,Strange_Op_L,
 			   Strange_LinOp_LF,Strange_LinOp_L);
   
-  MxPCG_EOFA ActionCGR(ActionStoppingCondition,
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition,MX_tol,
 		       MX_inner,
 		       MaxCGIterations,
-		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_RF,Strange_Op_R,
 		       Strange_LinOp_RF,Strange_LinOp_R);
   
-  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,MX_tol,
 			   MX_inner,
 			   MaxCGIterations,
-			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_RF,Strange_Op_R,
 			   Strange_LinOp_RF,Strange_LinOp_R);
@@ -401,18 +269,16 @@ int main(int argc, char **argv) {
     LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
     LinOpF.push_back(new LinearOperatorF(*DenominatorsF[h]));
 
-    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,MX_tol,
 			     MX_inner,
 			     MaxCGIterations,
-			     GridPtrF,
 			     FrbGridF,
 			     *DenominatorsF[h],*Denominators[h],
 			     *LinOpF[h], *LinOpD[h]) );
 
-    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
 				   MX_inner,
 				   MaxCGIterations,
-				   GridPtrF,
 				   FrbGridF,
 				   *DenominatorsF[h],*Denominators[h],
 				   *LinOpF[h], *LinOpD[h]) );

HMC/Mobius2p1fEOFA_4dPseudoFermion.cc

@@ -0,0 +1,338 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: 
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu
+Author: David Murphy
+
+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 */
+#include <Grid/Grid.h>
+#include <Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h>
+#include <Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h>
+
+#ifdef GRID_DEFAULT_PRECISION_DOUBLE
+#define MIXED_PRECISION
+#endif
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef MobiusFermionF FermionActionF;
+  typedef MobiusEOFAFermionR FermionEOFAAction;
+  typedef MobiusEOFAFermionF FermionEOFAActionF;
+  typedef typename FermionAction::FermionField FermionField;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef Grid::XmlReader       Serialiser;
+  
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper; 
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 12;
+  MD.trajL   = 1.0;
+  
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 211;
+  HMCparams.Trajectories     = 1000;
+  HMCparams.NoMetropolisUntil=  0;
+  //  "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+  
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_EOFA4D_lat";
+  CPparams.rng_prefix    = "ckpoint_EOFA4D_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection 
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0; 
+  RealD c   = 0.0;
+
+  std::vector<Real> hasenbusch({ 0.1, 0.3, 0.6 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  Coordinate latt  = GridDefaultLatt();
+  Coordinate mpi   = GridDefaultMpi();
+  Coordinate simdF = GridDefaultSimd(Nd,vComplexF::Nsimd());
+  Coordinate simdD = GridDefaultSimd(Nd,vComplexD::Nsimd());
+  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
+  auto GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeFieldF UF(GridPtrF);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+  FermionActionF::ImplParams ParamsF(boundary);
+  
+  double ActionStoppingCondition     = 1e-10;
+  double DerivativeStoppingCondition = 1e-8;
+  double MaxCGIterations = 30000;
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  typedef SchurDiagMooeeOperator<FermionActionF,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+
+  typedef SchurDiagMooeeDagOperator<FermionActionF,FermionFieldF> LinearOperatorDagF;
+  typedef SchurDiagMooeeDagOperator<FermionAction ,FermionField > LinearOperatorDagD;
+
+  typedef SchurDiagMooeeOperator<FermionEOFAActionF,FermionFieldF> LinearOperatorEOFAF;
+  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusFermionD,MobiusFermionF,LinearOperatorD,LinearOperatorF> MxPCG;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusFermionD,MobiusFermionF,LinearOperatorDagD,LinearOperatorDagF> MxDagPCG;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusEOFAFermionD,MobiusEOFAFermionF,LinearOperatorEOFAD,LinearOperatorEOFAF> MxPCG_EOFA;
+
+  // DJM: setup for EOFA ratio (Mobius)
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 0.1;
+  OFRp.hi       = 25.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-9;
+  OFRp.degree   = 14;
+  OFRp.precision= 50;
+
+  
+  MobiusEOFAFermionR Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_LF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionR Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_RF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+
+  ConjugateGradient<FermionField>      ActionCG(ActionStoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
+#ifdef MIXED_PRECISION
+  const int MX_inner = 1000;
+  const RealD MX_tol = 1.0e-4;
+  // Mixed precision EOFA
+  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
+  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
+  LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
+  LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
+
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_LF,Strange_Op_L,
+		       Strange_LinOp_LF,Strange_LinOp_L);
+
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_LF,Strange_Op_L,
+			   Strange_LinOp_LF,Strange_LinOp_L);
+  
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_RF,Strange_Op_R,
+		       Strange_LinOp_RF,Strange_LinOp_R);
+  
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_RF,Strange_Op_R,
+			   Strange_LinOp_RF,Strange_LinOp_R);
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG, 
+	 ActionCGL, ActionCGR,
+	 DerivativeCGL, DerivativeCGR,
+	 OFRp, true);
+#else
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG,
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG, 
+	 OFRp, true);
+#endif
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  //////////////////////////////////////////////////////////////
+  // Forced to replicate the MxPCG and DenominatorsF etc.. because
+  // there is no convenient way to "Clone" physics params from double op
+  // into single op for any operator pair.
+  // Same issue prevents using MxPCG in the Heatbath step
+  //////////////////////////////////////////////////////////////
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  std::vector<MxPCG *> ActionMPCG;
+  std::vector<MxPCG *> MPCG;
+  std::vector<MxDagPCG *> MPCGdag;
+  std::vector<FermionActionF *> DenominatorsF;
+  std::vector<LinearOperatorD *> LinOpD;
+  std::vector<LinearOperatorF *> LinOpF; 
+  std::vector<LinearOperatorDagD *> LinOpDagD;
+  std::vector<LinearOperatorDagF *> LinOpDagF; 
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+
+#ifdef MIXED_PRECISION
+    ////////////////////////////////////////////////////////////////////////////
+    // Mixed precision CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+
+    DenominatorsF.push_back(new FermionActionF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[h],M5,b,c, ParamsF));
+    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
+    LinOpF.push_back(new LinearOperatorF(*DenominatorsF[h]));
+    LinOpDagD.push_back(new LinearOperatorDagD(*Denominators[h]));
+    LinOpDagF.push_back(new LinearOperatorDagF(*DenominatorsF[h]));
+    
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,MX_tol,
+			     MX_inner,
+			     MaxCGIterations,
+			     FrbGridF,
+			     *DenominatorsF[h],*Denominators[h],
+			     *LinOpF[h], *LinOpD[h]) );
+
+    MPCGdag.push_back(new MxDagPCG(DerivativeStoppingCondition,MX_tol,
+				   MX_inner,
+				   MaxCGIterations,
+				   FrbGridF,
+				   *DenominatorsF[h],*Denominators[h],
+				   *LinOpDagF[h], *LinOpDagD[h]) );
+    
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
+				   MX_inner,
+				   MaxCGIterations,
+				   FrbGridF,
+				   *DenominatorsF[h],*Denominators[h],
+				   *LinOpF[h], *LinOpD[h]) );
+
+    // Heatbath not mixed yet. As inverts numerators not so important as raised mass.
+    Quotients.push_back (new TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],*MPCG[h],*MPCGdag[h],*ActionMPCG[h],ActionCG));
+#else
+    ////////////////////////////////////////////////////////////////////////////
+    // Standard CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+    Quotients.push_back   (new TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],DerivativeCG,ActionCG));
+#endif
+
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1fEOFA_C1M.cc

@@ -0,0 +1,312 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: 
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu
+Author: David Murphy
+
+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 */
+#include <Grid/Grid.h>
+
+#ifdef GRID_DEFAULT_PRECISION_DOUBLE
+#define MIXED_PRECISION
+#endif
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef MobiusFermionF FermionActionF;
+  typedef MobiusEOFAFermionR FermionEOFAAction;
+  typedef MobiusEOFAFermionF FermionEOFAActionF;
+  typedef typename FermionAction::FermionField FermionField;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef Grid::XmlReader       Serialiser;
+  
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper; 
+  //  MD.name    = std::string("Leap Frog");
+  typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
+  
+  HMCparameters HMCparams;
+  {
+    XmlReader  HMCrd("HMCparameters.xml");
+    read(HMCrd,"HMCparameters",HMCparams);
+    std::cout << GridLogMessage<< HMCparams <<std::endl;
+  }
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+  
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_C1M_lat";
+  CPparams.rng_prefix    = "ckpoint_C1M_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection 
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 24;
+  Real beta         = 2.13;
+  Real light_mass   = 0.005;
+  Real strange_mass = 0.0362;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.5; 
+  RealD c   = 0.5;
+
+  std::vector<Real> hasenbusch({ 0.02, 0.2, 0.6 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  Coordinate latt  = GridDefaultLatt();
+  Coordinate mpi   = GridDefaultMpi();
+  Coordinate simdF = GridDefaultSimd(Nd,vComplexF::Nsimd());
+  Coordinate simdD = GridDefaultSimd(Nd,vComplexD::Nsimd());
+  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
+  auto GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeFieldF UF(GridPtrF);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+  FermionActionF::ImplParams ParamsF(boundary);
+  
+  double ActionStoppingCondition     = 1e-10;
+  double DerivativeStoppingCondition = 1e-8;
+  double MaxCGIterations = 30000;
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  typedef SchurDiagMooeeOperator<FermionActionF,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionEOFAActionF,FermionFieldF> LinearOperatorEOFAF;
+  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusFermionD,MobiusFermionF,LinearOperatorD,LinearOperatorF> MxPCG;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusEOFAFermionD,MobiusEOFAFermionF,LinearOperatorEOFAD,LinearOperatorEOFAF> MxPCG_EOFA;
+
+  // DJM: setup for EOFA ratio (Mobius)
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 0.1;
+  OFRp.hi       = 25.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-9;
+  OFRp.degree   = 14;
+  OFRp.precision= 50;
+
+  
+  MobiusEOFAFermionR Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_LF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionR Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_RF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+
+  ConjugateGradient<FermionField>      ActionCG(ActionStoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
+#ifdef MIXED_PRECISION
+  const int MX_inner = 1000;
+  const RealD MX_tol = 1.0e-6;
+  // Mixed precision EOFA
+  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
+  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
+  LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
+  LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
+
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_LF,Strange_Op_L,
+		       Strange_LinOp_LF,Strange_LinOp_L);
+
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_LF,Strange_Op_L,
+			   Strange_LinOp_LF,Strange_LinOp_L);
+  
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_RF,Strange_Op_R,
+		       Strange_LinOp_RF,Strange_LinOp_R);
+  
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_RF,Strange_Op_R,
+			   Strange_LinOp_RF,Strange_LinOp_R);
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG, 
+	 ActionCGL, ActionCGR,
+	 DerivativeCGL, DerivativeCGR,
+	 OFRp, true);
+#else
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG,
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG, 
+	 OFRp, true);
+#endif
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  //////////////////////////////////////////////////////////////
+  // Forced to replicate the MxPCG and DenominatorsF etc.. because
+  // there is no convenient way to "Clone" physics params from double op
+  // into single op for any operator pair.
+  // Same issue prevents using MxPCG in the Heatbath step
+  //////////////////////////////////////////////////////////////
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  std::vector<MxPCG *> ActionMPCG;
+  std::vector<MxPCG *> MPCG;
+  std::vector<FermionActionF *> DenominatorsF;
+  std::vector<LinearOperatorD *> LinOpD;
+  std::vector<LinearOperatorF *> LinOpF; 
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+
+#ifdef MIXED_PRECISION
+    ////////////////////////////////////////////////////////////////////////////
+    // Mixed precision CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+
+    DenominatorsF.push_back(new FermionActionF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[h],M5,b,c, ParamsF));
+    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
+    LinOpF.push_back(new LinearOperatorF(*DenominatorsF[h]));
+
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,MX_tol,
+			     MX_inner,
+			     MaxCGIterations,
+			     FrbGridF,
+			     *DenominatorsF[h],*Denominators[h],
+			     *LinOpF[h], *LinOpD[h]) );
+
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
+				   MX_inner,
+				   MaxCGIterations,
+				   FrbGridF,
+				   *DenominatorsF[h],*Denominators[h],
+				   *LinOpF[h], *LinOpD[h]) );
+
+    // Heatbath not mixed yet. As inverts numerators not so important as raised mass.
+    Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],*MPCG[h],*ActionMPCG[h],ActionCG));
+#else
+    ////////////////////////////////////////////////////////////////////////////
+    // Standard CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],DerivativeCG,ActionCG));
+#endif
+
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1fEOFA_F1.cc

@@ -34,8 +34,6 @@ directory
 #define MIXED_PRECISION
 #endif
 
-NAMESPACE_BEGIN(Grid);
-
   /*
    * Need a plan for gauge field update for mixed precision in HMC                      (2x speed up)
    *    -- Store the single prec action operator.
@@ -43,111 +41,7 @@ NAMESPACE_BEGIN(Grid);
    *    -- Build the mixed precision operator dynamically from the passed operator and single prec clone.
    */
 
-  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
-  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
-  public:
-    typedef typename FermionOperatorD::FermionField FieldD;
-    typedef typename FermionOperatorF::FermionField FieldF;
-
-    using OperatorFunction<FieldD>::operator();
-
-    RealD   Tolerance;
-    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
-    Integer MaxInnerIterations;
-    Integer MaxOuterIterations;
-    GridBase* SinglePrecGrid4; //Grid for single-precision fields
-    GridBase* SinglePrecGrid5; //Grid for single-precision fields
-    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
-
-    FermionOperatorF &FermOpF;
-    FermionOperatorD &FermOpD;;
-    SchurOperatorF &LinOpF;
-    SchurOperatorD &LinOpD;
-
-    Integer TotalInnerIterations; //Number of inner CG iterations
-    Integer TotalOuterIterations; //Number of restarts
-    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
-
-    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
-						    Integer maxinnerit, 
-						    Integer maxouterit, 
-						    GridBase* _sp_grid4, 
-						    GridBase* _sp_grid5, 
-						    FermionOperatorF &_FermOpF,
-						    FermionOperatorD &_FermOpD,
-						    SchurOperatorF   &_LinOpF,
-						    SchurOperatorD   &_LinOpD): 
-      LinOpF(_LinOpF),
-      LinOpD(_LinOpD),
-      FermOpF(_FermOpF),
-      FermOpD(_FermOpD),
-      Tolerance(tol), 
-      InnerTolerance(tol), 
-      MaxInnerIterations(maxinnerit), 
-      MaxOuterIterations(maxouterit), 
-      SinglePrecGrid4(_sp_grid4),
-      SinglePrecGrid5(_sp_grid5),
-      OuterLoopNormMult(100.) 
-    { 
-      /* Debugging instances of objects; references are stored
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpF " <<std::hex<< &LinOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper LinOpD " <<std::hex<< &LinOpD<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpF " <<std::hex<< &FermOpF<<std::dec <<std::endl;
-      std::cout << GridLogMessage << " Mixed precision CG wrapper FermOpD " <<std::hex<< &FermOpD<<std::dec <<std::endl;
-      */
-    };
-
-    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
-
-      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
-
-      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
-      
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpU " <<std::hex<< &(SchurOpU->_Mat)<<std::dec <<std::endl;
-      //      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() FermOpD " <<std::hex<< &(LinOpD._Mat) <<std::dec <<std::endl;
-      // Assumption made in code to extract gauge field
-      // We could avoid storing LinopD reference alltogether ?
-      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Must snarf a single precision copy of the gauge field in Linop_d argument
-      ////////////////////////////////////////////////////////////////////////////////////
-      typedef typename FermionOperatorF::GaugeField GaugeFieldF;
-      typedef typename FermionOperatorF::GaugeLinkField GaugeLinkFieldF;
-      typedef typename FermionOperatorD::GaugeField GaugeFieldD;
-      typedef typename FermionOperatorD::GaugeLinkField GaugeLinkFieldD;
-
-      GridBase * GridPtrF = SinglePrecGrid4;
-      GridBase * GridPtrD = FermOpD.Umu.Grid();
-      GaugeFieldF     U_f  (GridPtrF);
-      GaugeLinkFieldF Umu_f(GridPtrF);
-      //      std::cout << " Dim gauge field "<<GridPtrF->Nd()<<std::endl; // 4d
-      //      std::cout << " Dim gauge field "<<GridPtrD->Nd()<<std::endl; // 4d
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Moving this to a Clone method of fermion operator would allow to duplicate the 
-      // physics parameters and decrease gauge field copies
-      ////////////////////////////////////////////////////////////////////////////////////
-      GaugeLinkFieldD Umu_d(GridPtrD);
-      for(int mu=0;mu<Nd*2;mu++){ 
-	Umu_d = PeekIndex<LorentzIndex>(FermOpD.Umu, mu);
-	precisionChange(Umu_f,Umu_d);
-	PokeIndex<LorentzIndex>(FermOpF.Umu, Umu_f, mu);
-      }
-      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
-      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
-
-      ////////////////////////////////////////////////////////////////////////////////////
-      // Make a mixed precision conjugate gradient
-      ////////////////////////////////////////////////////////////////////////////////////
-      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
-      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
-      MPCG(src,psi);
-    }
-  };
-
-NAMESPACE_END(Grid);
-
 
 int main(int argc, char **argv) {
   using namespace Grid;
@@ -290,6 +184,7 @@ int main(int argc, char **argv) {
   ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
 #ifdef MIXED_PRECISION
   const int MX_inner = 5000;
+  const RealD MX_tol = 1.0e-6;
 
   // Mixed precision EOFA
   LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
@@ -297,34 +192,30 @@ int main(int argc, char **argv) {
   LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
   LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
 
-  MxPCG_EOFA ActionCGL(ActionStoppingCondition,
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition, MX_tol,
 		       MX_inner,
 		       MaxCGIterations,
-		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_LF,Strange_Op_L,
 		       Strange_LinOp_LF,Strange_LinOp_L);
 
-  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition, MX_tol,
 			   MX_inner,
 			   MaxCGIterations,
-			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_LF,Strange_Op_L,
 			   Strange_LinOp_LF,Strange_LinOp_L);
   
-  MxPCG_EOFA ActionCGR(ActionStoppingCondition,
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition, MX_tol,
 		       MX_inner,
 		       MaxCGIterations,
-		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_RF,Strange_Op_R,
 		       Strange_LinOp_RF,Strange_LinOp_R);
   
-  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition, MX_tol,
 			   MX_inner,
 			   MaxCGIterations,
-			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_RF,Strange_Op_R,
 			   Strange_LinOp_RF,Strange_LinOp_R);
@@ -394,18 +285,16 @@ int main(int argc, char **argv) {
 
     double conv  = DerivativeStoppingCondition;
     if (h<3) conv= DerivativeStoppingConditionLoose; // Relax on first two hasenbusch factors
-    MPCG.push_back(new MxPCG(conv,
+    MPCG.push_back(new MxPCG(conv,MX_tol,
 			     MX_inner,
 			     MaxCGIterations,
-			     GridPtrF,
 			     FrbGridF,
 			     *DenominatorsF[h],*Denominators[h],
 			     *LinOpF[h], *LinOpD[h]) );
 
-    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
 				   MX_inner,
 				   MaxCGIterations,
-				   GridPtrF,
 				   FrbGridF,
 				   *DenominatorsF[h],*Denominators[h],
 				   *LinOpF[h], *LinOpD[h]) );

HMC/Mobius2p1fEOFA_M1M.cc

@@ -0,0 +1,318 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: 
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu
+Author: David Murphy
+
+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 */
+#include <Grid/Grid.h>
+
+#ifdef GRID_DEFAULT_PRECISION_DOUBLE
+#define MIXED_PRECISION
+#endif
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef MobiusFermionF FermionActionF;
+  typedef MobiusEOFAFermionR FermionEOFAAction;
+  typedef MobiusEOFAFermionF FermionEOFAActionF;
+  typedef typename FermionAction::FermionField FermionField;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef Grid::XmlReader       Serialiser;
+  
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  //  IntegratorParameters MD;
+  typedef GenericHMCRunner<ForceGradient> HMCWrapper; 
+  //  MD.name    = std::string("Force Gradient");
+
+  //typedef GenericHMCRunner<LeapFrog> HMCWrapper; 
+  //MD.name    = std::string("Leap Frog");
+  //typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
+  //MD.name    = std::string("MinimumNorm2");
+  //  MD.MDsteps = 15;
+  //  MD.trajL   = 1.0;
+  
+  HMCparameters HMCparams;
+  {
+    XmlReader  HMCrd("HMCparameters.xml");
+    read(HMCrd,"HMCparameters",HMCparams);
+    std::cout << GridLogMessage<< HMCparams <<std::endl;
+  }
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+  
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_M1M_lat";
+  CPparams.rng_prefix    = "ckpoint_M1M_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection 
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  Real beta         = 2.25;
+  Real light_mass   = 0.004;
+  Real strange_mass = 0.02661;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.5; 
+  RealD c   = 0.5;
+
+  std::vector<Real> hasenbusch({ 0.02, 0.2, 0.6 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  Coordinate latt  = GridDefaultLatt();
+  Coordinate mpi   = GridDefaultMpi();
+  Coordinate simdF = GridDefaultSimd(Nd,vComplexF::Nsimd());
+  Coordinate simdD = GridDefaultSimd(Nd,vComplexD::Nsimd());
+  auto GridPtrF   = SpaceTimeGrid::makeFourDimGrid(latt,simdF,mpi);
+  auto GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+  LatticeGaugeFieldF UF(GridPtrF);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+  FermionActionF::ImplParams ParamsF(boundary);
+  
+  double ActionStoppingCondition     = 1e-10;
+  double DerivativeStoppingCondition = 1e-8;
+  double MaxCGIterations = 30000;
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  typedef SchurDiagMooeeOperator<FermionActionF,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeOperator<FermionAction ,FermionField > LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionEOFAActionF,FermionFieldF> LinearOperatorEOFAF;
+  typedef SchurDiagMooeeOperator<FermionEOFAAction ,FermionField > LinearOperatorEOFAD;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusFermionD,MobiusFermionF,LinearOperatorD,LinearOperatorF> MxPCG;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<MobiusEOFAFermionD,MobiusEOFAFermionF,LinearOperatorEOFAD,LinearOperatorEOFAF> MxPCG_EOFA;
+
+  // DJM: setup for EOFA ratio (Mobius)
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 0.1;
+  OFRp.hi       = 25.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-9;
+  OFRp.degree   = 14;
+  OFRp.precision= 50;
+
+  
+  MobiusEOFAFermionR Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_LF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionR Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+  MobiusEOFAFermionF Strange_Op_RF(UF, *FGridF, *FrbGridF, *GridPtrF, *GridRBPtrF, pv_mass, strange_mass,      pv_mass, -1.0, 1, M5, b, c);
+
+  ConjugateGradient<FermionField>      ActionCG(ActionStoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
+#ifdef MIXED_PRECISION
+  const int MX_inner = 1000;
+  const RealD MX_tol = 1.0e-6;
+  // Mixed precision EOFA
+  LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
+  LinearOperatorEOFAD Strange_LinOp_R (Strange_Op_R);
+  LinearOperatorEOFAF Strange_LinOp_LF(Strange_Op_LF);
+  LinearOperatorEOFAF Strange_LinOp_RF(Strange_Op_RF);
+
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_LF,Strange_Op_L,
+		       Strange_LinOp_LF,Strange_LinOp_L);
+
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_LF,Strange_Op_L,
+			   Strange_LinOp_LF,Strange_LinOp_L);
+  
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition,MX_tol,
+		       MX_inner,
+		       MaxCGIterations,
+		       FrbGridF,
+		       Strange_Op_RF,Strange_Op_R,
+		       Strange_LinOp_RF,Strange_LinOp_R);
+  
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,MX_tol,
+			   MX_inner,
+			   MaxCGIterations,
+			   FrbGridF,
+			   Strange_Op_RF,Strange_Op_R,
+			   Strange_LinOp_RF,Strange_LinOp_R);
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG, 
+	 ActionCGL, ActionCGR,
+	 DerivativeCGL, DerivativeCGR,
+	 OFRp, true);
+#else
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> 
+    EOFA(Strange_Op_L, Strange_Op_R, 
+	 ActionCG,
+	 ActionCG, ActionCG,
+	 DerivativeCG, DerivativeCG, 
+	 OFRp, true);
+#endif
+  Level1.push_back(&EOFA);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  //////////////////////////////////////////////////////////////
+  // Forced to replicate the MxPCG and DenominatorsF etc.. because
+  // there is no convenient way to "Clone" physics params from double op
+  // into single op for any operator pair.
+  // Same issue prevents using MxPCG in the Heatbath step
+  //////////////////////////////////////////////////////////////
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  std::vector<MxPCG *> ActionMPCG;
+  std::vector<MxPCG *> MPCG;
+  std::vector<FermionActionF *> DenominatorsF;
+  std::vector<LinearOperatorD *> LinOpD;
+  std::vector<LinearOperatorF *> LinOpF; 
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+
+#ifdef MIXED_PRECISION
+    ////////////////////////////////////////////////////////////////////////////
+    // Mixed precision CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+
+    DenominatorsF.push_back(new FermionActionF(UF,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,light_den[h],M5,b,c, ParamsF));
+    LinOpD.push_back(new LinearOperatorD(*Denominators[h]));
+    LinOpF.push_back(new LinearOperatorF(*DenominatorsF[h]));
+
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,MX_tol,
+			     MX_inner,
+			     MaxCGIterations,
+			     FrbGridF,
+			     *DenominatorsF[h],*Denominators[h],
+			     *LinOpF[h], *LinOpD[h]) );
+
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
+				   MX_inner,
+				   MaxCGIterations,
+				   FrbGridF,
+				   *DenominatorsF[h],*Denominators[h],
+				   *LinOpF[h], *LinOpD[h]) );
+
+    // Heatbath not mixed yet. As inverts numerators not so important as raised mass.
+    Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],*MPCG[h],*ActionMPCG[h],ActionCG));
+#else
+    ////////////////////////////////////////////////////////////////////////////
+    // Standard CG for 2f force
+    ////////////////////////////////////////////////////////////////////////////
+    Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],DerivativeCG,ActionCG));
+#endif
+
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1fRHMC.cc

@@ -52,16 +52,16 @@ int main(int argc, char **argv) {
   //  MD.name    = std::string("Force Gradient");
   typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
   MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 20;
+  MD.MDsteps = 12;
   MD.trajL   = 1.0;
 
   HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 0;
+  HMCparams.StartTrajectory  = 139;
   HMCparams.Trajectories     = 200;
   HMCparams.NoMetropolisUntil=  0;
   // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  HMCparams.StartingType     =std::string("ColdStart");
+  //  HMCparams.StartingType     =std::string("ColdStart");
-  //  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
   HMCparams.MD = MD;
   HMCWrapper TheHMC(HMCparams);
 
@@ -71,7 +71,7 @@ int main(int argc, char **argv) {
   CheckpointerParameters CPparams;
   CPparams.config_prefix = "ckpoint_EODWF_lat";
   CPparams.rng_prefix    = "ckpoint_EODWF_rng";
-  CPparams.saveInterval  = 10;
+  CPparams.saveInterval  = 1;
   CPparams.format        = "IEEE64BIG";
   TheHMC.Resources.LoadNerscCheckpointer(CPparams);
 
@@ -130,7 +130,7 @@ int main(int argc, char **argv) {
   // Collect actions
   ////////////////////////////////////
   ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(4);
+  ActionLevel<HMCWrapper::Field> Level2(8);
 
   ////////////////////////////////////
   // Strange action

HMC/Mobius2p1fRHMC_4dPseudoFermion.cc

@@ -0,0 +1,197 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@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 */
+#include <Grid/Grid.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 10;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 137;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+
+  // FIXME:
+  // Same in MC and MD
+  // Need to mix precision too
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 4.0e-3;
+  OFRp.hi       = 30.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 16;
+  OFRp.precision= 50;
+
+  std::vector<Real> hasenbusch({ 0.1 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+
+  //  FermionAction StrangeOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_mass,M5,b,c, Params);
+  //  DomainWallEOFAFermionR Strange_Op_L(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, shift_L, pm, M5);
+  //  DomainWallEOFAFermionR Strange_Op_R(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, shift_R, pm, M5);
+  //  ExactOneFlavourRatioPseudoFermionAction EOFA(Strange_Op_L,Strange_Op_R,CG,ofp, false);
+
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermion(StrangePauliVillarsOp,StrangeOp,OFRp);
+  Level1.push_back(&StrangePseudoFermion);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

HMC/Mobius2p1fRHMC_4dPseudoFermionSchurSolver.cc

@@ -0,0 +1,198 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@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 */
+#include <Grid/Grid.h>
+#include <Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h>
+#include <Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = 12;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 211;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_4dDWF_lat";
+  CPparams.rng_prefix    = "ckpoint_4dDWF_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+
+  // FIXME:
+  // Same in MC and MD
+  // Need to mix precision too
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 4.0e-3;
+  OFRp.hi       = 30.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-10;
+  OFRp.degree   = 16;
+  OFRp.precision= 50;
+
+  std::vector<Real> hasenbusch({ 0.1 });
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(8);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+
+  //  FermionAction StrangeOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_mass,M5,b,c, Params);
+  //  DomainWallEOFAFermionR Strange_Op_L(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, shift_L, pm, M5);
+  //  DomainWallEOFAFermionR Strange_Op_R(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, shift_R, pm, M5);
+  //  ExactOneFlavourRatioPseudoFermionAction EOFA(Strange_Op_L,Strange_Op_R,CG,ofp, false);
+
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermion(StrangePauliVillarsOp,StrangeOp,OFRp);
+  Level1.push_back(&StrangePseudoFermion);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]);
+    light_num.push_back(hasenbusch[h]);
+  }
+  light_num.push_back(pv_mass);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy> *> Quotients;
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    Quotients.push_back   (new TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+  }
+
+  for(int h=0;h<n_hasenbusch+1;h++){
+    Level1.push_back(Quotients[h]);
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+  /////////////////////////////////////////////////////////////
+  // HMC parameters are serialisable
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

TODO

@@ -1,5 +1,11 @@
--- comms threads issue??
+--
--- Part done: Staggered kernel performance on GPU
+-- Comms threads issue??
+-- Part done: Staggered kernel performance on GPU ; eliminate replicas
+-- Antonin - Nd, Nc generic hide and make Gimpl
+-- DWF 5d RB case / Shamir
+-- 4D pseudofermion options
+-- DDHMC
+--
 
 =========================================================
 General

benchmarks/Benchmark_dwf_fp32.cc

@@ -32,18 +32,14 @@
 using namespace std;
 using namespace Grid;
 
-template<class d>
+typedef DirichletFermionOperator<WilsonImplF> DirichletFermionF;
-struct scal {
-  d internal;
-};
 
-  Gamma::Algebra Gmu [] = {
+Gamma::Algebra Gmu [] = {
     Gamma::Algebra::GammaX,
     Gamma::Algebra::GammaY,
     Gamma::Algebra::GammaZ,
     Gamma::Algebra::GammaT
-  };
+};
-
 
 int main (int argc, char ** argv)
 {
@@ -61,20 +57,17 @@ int main (int argc, char ** argv)
 
   GridLogLayout();
 
+  Coordinate latt = GridDefaultLatt();
+  Coordinate mpi  = GridDefaultMpi();
+  Coordinate simd = GridDefaultSimd(Nd,vComplexF::Nsimd());
+
   long unsigned int single_site_flops = 8*Nc*(7+16*Nc);
 
-
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt,simd,mpi);
-  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
 
-  std::cout << GridLogMessage << "Making s innermost grids"<<std::endl;
-  GridCartesian         * sUGrid   = SpaceTimeGrid::makeFourDimDWFGrid(GridDefaultLatt(),GridDefaultMpi());
-  GridRedBlackCartesian * sUrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(sUGrid);
-  GridCartesian         * sFGrid   = SpaceTimeGrid::makeFiveDimDWFGrid(Ls,UGrid);
-  GridRedBlackCartesian * sFrbGrid = SpaceTimeGrid::makeFiveDimDWFRedBlackGrid(Ls,UGrid);
-
   std::vector<int> seeds4({1,2,3,4});
   std::vector<int> seeds5({5,6,7,8});
 
@@ -292,7 +285,6 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "src_o"<<norm2(src_o)<<std::endl;
 
 
-  // S-direction is INNERMOST and takes no part in the parity.
   std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
   std::cout << GridLogMessage<< "* Benchmarking DomainWallFermionF::DhopEO                "<<std::endl;
   std::cout << GridLogMessage<< "* Vectorising space-time by "<<vComplexF::Nsimd()<<std::endl;
@@ -359,6 +351,56 @@ int main (int argc, char ** argv)
 
   assert(norm2(src_e)<1.0e-4);
   assert(norm2(src_o)<1.0e-4);
+
+
+  std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
+  std::cout << GridLogMessage<< "* Benchmarking DirichletFermionF::DhopEO                "<<std::endl;
+  std::cout << GridLogMessage<< "* SINGLE precision "<<std::endl;
+
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) std::cout << GridLogMessage<< "* Using Overlapped Comms/Compute" <<std::endl;
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute) std::cout << GridLogMessage<< "* Using sequential comms compute" <<std::endl;
+#endif
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptGeneric   ) std::cout << GridLogMessage<< "* Using GENERIC Nc WilsonKernels" <<std::endl;
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptHandUnroll) std::cout << GridLogMessage<< "* Using Nc=3       WilsonKernels" <<std::endl;
+  if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
+  std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
+
+
+  // Dirichlet benchmark
+ 
+  Coordinate local(Nd);
+  for(int d=0;d<Nd;d++){
+    local[d] = latt[d]/mpi[d];
+  }
+  std::vector<Complex> boundary = {1,1,1,-1};
+  DomainWallFermionF::ImplParams DirichletParams(boundary);
+  DirichletParams.locally_periodic=true;
+  DomainWallFermionF DwDirichlet(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,DirichletParams);
+  DirichletFermionF Dirichlet(DwDirichlet,local);
+  Dirichlet.ImportGauge(Umu);
+  {
+    FGrid->Barrier();
+    Dirichlet.DhopEO(src_o,r_e,DaggerNo);
+    DwDirichlet.ZeroCounters();
+    double t0=usecond();
+    for(int i=0;i<ncall;i++){
+      Dirichlet.DhopEO(src_o,r_e,DaggerNo);
+    }
+    double t1=usecond();
+    FGrid->Barrier();
+
+    double volume=Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt4[mu];
+    double flops=(single_site_flops*volume*ncall)/2.0;
+
+    std::cout<<GridLogMessage << "DirichletDeo flop "<< flops<<" usec " <<(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "DirichletDeo mflop/s =   "<< flops/(t1-t0)<<std::endl;
+    std::cout<<GridLogMessage << "DirichletDeo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;
+    std::cout<<GridLogMessage << "DirichletDeo mflop/s per node   "<< flops/(t1-t0)/NN<<std::endl;
+    DwDirichlet.Report();
+  }
+
   Grid_finalize();
+
   exit(0);
 }

examples/Example_wall_wall_spectrum.cc

@@ -9,6 +9,7 @@ using namespace std;
 using namespace Grid;
 typedef SpinColourMatrix Propagator;
 typedef SpinColourVector Fermion;
+typedef PeriodicGimplR   GimplR;
 
 template<class Gimpl,class Field> class CovariantLaplacianCshift : public SparseMatrixBase<Field>
 {
@@ -55,6 +56,15 @@ void MakePhase(Coordinate mom,LatticeComplex &phase)
   }
   phase = exp(phase*ci);
 }
+void LinkSmear(int nstep, RealD rho,LatticeGaugeField &Uin,LatticeGaugeField &Usmr)
+{
+  Smear_Stout<GimplR> Stout(rho);
+  LatticeGaugeField Utmp(Uin.Grid());
+  Utmp = Uin;
+  for(int i=0;i<nstep;i++){
+    Stout.smear(Usmr,Utmp);
+  }
+}
 void PointSource(Coordinate &coor,LatticePropagator &source)
 {
   //  Coordinate coor({0,0,0,0});
@@ -97,23 +107,23 @@ void GaugeFix(LatticeGaugeField &U,LatticeGaugeField &Ufix)
 {
   Real alpha=0.05;
 
-  Real plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(U);
+  Real plaq=WilsonLoops<GimplR>::avgPlaquette(U);
 
   std::cout << " Initial plaquette "<<plaq << std::endl;
 
   LatticeColourMatrix   xform(U.Grid()); 
   Ufix = U;
   int orthog=Nd-1;
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Ufix,xform,alpha,10000,1.0e-12, 1.0e-12,true,orthog);
+  FourierAcceleratedGaugeFixer<GimplR>::SteepestDescentGaugeFix(Ufix,xform,alpha,10000,1.0e-12, 1.0e-12,true,orthog);
   
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Ufix);
+  plaq=WilsonLoops<GimplR>::avgPlaquette(Ufix);
 
   std::cout << " Final plaquette "<<plaq << std::endl;
 }
 template<class Field>
 void GaussianSmear(LatticeGaugeField &U,Field &unsmeared,Field &smeared)
 {
-  typedef CovariantLaplacianCshift <PeriodicGimplR,Field> Laplacian_t;
+  typedef CovariantLaplacianCshift <GimplR,Field> Laplacian_t;
   Laplacian_t Laplacian(U);
 
   Integer Iterations = 40;
@@ -287,15 +297,10 @@ int main (int argc, char ** argv)
 								   GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
 
-  //////////////////////////////////////////////////////////////////////
-  // You can manage seeds however you like.
-  // Recommend SeedUniqueString.
-  //////////////////////////////////////////////////////////////////////
-  std::vector<int> seeds4({1,2,3,4}); 
-  GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
 
   LatticeGaugeField Umu(UGrid);
-  LatticeGaugeField Ufixed(UGrid);
+  LatticeGaugeField Utmp(UGrid);
+  LatticeGaugeField Usmr(UGrid);
   std::string config;
   if( argc > 1 && argv[1][0] != '-' )
   {
@@ -308,13 +313,17 @@ int main (int argc, char ** argv)
   {
     std::cout<<GridLogMessage <<"Using hot configuration"<<std::endl;
     SU<Nc>::ColdConfiguration(Umu);
-    //    SU<Nc>::HotConfiguration(RNG4,Umu);
+    config="ColdConfig";
-    config="HotConfig";
   }
-  GaugeFix(Umu,Ufixed);
+  GaugeFix(Umu,Utmp);
-  Umu=Ufixed;
+  Umu=Utmp;
-    
 
+  int nsmr=3;
+  RealD rho=0.1;
+  LinkSmear(nsmr,rho,Umu,Usmr);
+
+
+  std::vector<int>   smeared_link({ 0,0,1} ); 
   std::vector<RealD> masses({ 0.004,0.02477,0.447} ); // u/d, s, c ??
   std::vector<RealD> M5s   ({ 1.8,1.8,1.0} ); 
   std::vector<RealD> bs   ({ 1.0,1.0,1.5} );  // DDM
@@ -339,23 +348,29 @@ int main (int argc, char ** argv)
     RealD c    = cs[m];
     int   Ls   = Ls_s[m];
 
+    if ( smeared_link[m] ) Utmp = Usmr;
+    else                   Utmp = Umu;
+    
     FGrids.push_back(SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid));
     FrbGrids.push_back(SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid));
 
-    FermActs.push_back(new MobiusFermionR(Umu,*FGrids[m],*FrbGrids[m],*UGrid,*UrbGrid,mass,M5,b,c));
+    FermActs.push_back(new MobiusFermionR(Utmp,*FGrids[m],*FrbGrids[m],*UGrid,*UrbGrid,mass,M5,b,c));
   }
 
-  LatticePropagator point_source(UGrid);
   LatticePropagator z2wall_source(UGrid);
   LatticePropagator gfwall_source(UGrid);
 
-  Coordinate Origin({0,0,0,0});
+  int tslice = 0;
-  PointSource   (Origin,point_source);
+  //////////////////////////////////////////////////////////////////////
-  Z2WallSource  (RNG4,0,z2wall_source);
+  // RNG seeded for Z2 wall
-  GFWallSource  (0,gfwall_source);
+  //////////////////////////////////////////////////////////////////////
-  
+  // You can manage seeds however you like.
-  std::vector<LatticePropagator> PointProps(nmass,UGrid);
+  // Recommend SeedUniqueString.
-  std::vector<LatticePropagator> GaussProps(nmass,UGrid);
+  //////////////////////////////////////////////////////////////////////
+  GridParallelRNG          RNG4(UGrid);  RNG4.SeedUniqueString("Study2-Source_Z2_p_0_0_0_t_0-880");
+  Z2WallSource  (RNG4,tslice,z2wall_source);
+  GFWallSource  (tslice,gfwall_source);
+
   std::vector<LatticePropagator> Z2Props   (nmass,UGrid);
   std::vector<LatticePropagator> GFProps   (nmass,UGrid);
 

scripts/hmc.sh

@@ -1,19 +1,27 @@
 #!/bin/bash
 
 LOG=$1
-SWEEPS=`grep dH $LOG | wc -l`
+SWEEPS=`grep dH.= $LOG | wc -l`
-SWEEPS=`expr $SWEEPS - 80`
+SWEEPS=`expr $SWEEPS - 100`
 echo
 echo $SWEEPS thermalised sweeps
 echo
-plaq=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$10} END { print S/NR} ' `
+plaq=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12} END { print S/NR} ' `
-plaqe=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$10 ; SS=SS+$10*$10 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
+plaqe=`grep Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12 ; SS=SS+$12*$12 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
 echo "Plaquette: $plaq (${plaqe})"
 echo
 
-dHv=`grep dH $LOG | tail -n $SWEEPS | awk '{ S=S+$10 ; SS=SS+$10*$10 } END { print sqrt(SS/NR) } ' `
+grep  Plaq $LOG | tail -n $SWEEPS | awk '{ S=S+$12/20; if(NR%20==0){ print NR/20, " ", S; S=0;} } '  > plaq.binned
-edH=`grep dH $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$10)} END { print S/NR} '`
+
-echo "<e-dH>: $edH"
+plaq=`cat plaq.binned  | awk '{ S=S+$2} END { print S/NR} ' `
+plaqe=`cat plaq.binned | awk '{ S=S+$2 ; SS=SS+$2*$2 } END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } ' `
+echo "Binned Plaquette: $plaq (${plaqe})"
+echo
+
+dHv=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+$16 ; SS=SS+$16*$16 } END { print sqrt(SS/NR) } ' `
+edH=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$16)} END { print S/NR} '`
+dedH=`grep dH.= $LOG | tail -n $SWEEPS | awk '{ S=S+exp(-$16); SS=SS+exp(-$16)*exp(-$16)} END { print sqrt( (SS/NR - S*S/NR/NR)/NR) } '`
+echo "<e-dH>: $edH (${dedH})"
 echo "<rms dH>: $dHv"
 
 TRAJ=`grep Acc $LOG | wc -l`
@@ -22,12 +30,13 @@ PACC=`expr  100 \* ${ACC} / ${TRAJ} `
 echo
 echo "Acceptance $PACC %  $ACC / $TRAJ "
 
-grep Plaq $LOG | awk '{ print $10 }' | uniq > plaq.dat
+grep Plaq $LOG | awk '{ print $12 }' | uniq > plaq.dat
-grep dH $LOG | awk '{ print $10 }' > dH.dat
+grep dH.= $LOG | awk '{ print $16 }' > dH.dat
-echo set yrange [-0.2:1.0] > plot.gnu
+echo set yrange [0.58:0.60] > plot.gnu
 echo set terminal 'pdf' >> plot.gnu
+echo "f(x) =0.588" >> plot.gnu
 echo "set output 'plaq.${LOG}.pdf'" >> plot.gnu
-echo "plot 'plaq.dat' w l, 'dH.dat' w l " >> plot.gnu
+echo "plot 'plaq.dat' w l, f(x) " >> plot.gnu
 echo
 gnuplot plot.gnu >& gnu.errs
 open plaq.${LOG}.pdf

systems/Tursa/config-command

@@ -1,11 +1,14 @@
+PREFIX=/home/tc002/tc002/shared/env/prefix/
 ../../configure \
     --enable-comms=mpi \
     --enable-simd=GPU \
     --enable-shm=nvlink \
     --enable-gen-simd-width=64 \
     --enable-accelerator=cuda \
-    --with-lime=/mnt/lustre/tursafs1/home/tc002/tc002/dc-boyl1/spack/spack/opt/spack/linux-rhel8-zen/gcc-8.4.1/c-lime-2-3-9-e6wxqrid6rqmd45z7n32dxkvkykpvyez \
+    --with-hdf5=$PREFIX \
-    --disable-accelerator-cshift \
+    --with-lime=$PREFIX \
+    --with-fftw=$PREFIX \
+    --enable-accelerator-cshift \
     --disable-unified \
     CXX=nvcc \
     LDFLAGS="-cudart shared " \

systems/Tursa/dwf.4node.perf

@@ -1,245 +0,0 @@
-tu-c0r0n00 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n00 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n00 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n06 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n09 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n03 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n06 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n09 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n00 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n03 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 3 device=3 binding=--interleave=6,7
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit[0]: ========================
-AcceleratorCudaInit[0]: Device Number    : 0
-AcceleratorCudaInit[0]: ========================
-AcceleratorCudaInit[0]: Device identifier: NVIDIA A100-SXM4-40GB
-AcceleratorCudaInit[0]:   totalGlobalMem: 42505273344 
-AcceleratorCudaInit[0]:   managedMemory: 1 
-AcceleratorCudaInit[0]:   isMultiGpuBoard: 0 
-AcceleratorCudaInit[0]:   warpSize: 32 
-AcceleratorCudaInit[0]:   pciBusID: 3 
-AcceleratorCudaInit[0]:   pciDeviceID: 0 
-AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit[0]: ========================
-AcceleratorCudaInit[0]: Device Number    : 0
-AcceleratorCudaInit[0]: ========================
-AcceleratorCudaInit[0]: Device identifier: NVIDIA A100-SXM4-40GB
-AcceleratorCudaInit[0]:   totalGlobalMem: 42505273344 
-AcceleratorCudaInit[0]:   managedMemory: 1 
-AcceleratorCudaInit[0]:   isMultiGpuBoard: 0 
-AcceleratorCudaInit[0]:   warpSize: 32 
-AcceleratorCudaInit[0]:   pciBusID: 3 
-AcceleratorCudaInit[0]:   pciDeviceID: 0 
-AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
-SharedMemoryMpi:  World communicator of size 16
-SharedMemoryMpi:  Node  communicator of size 4
-0SharedMemoryMpi:  SharedMemoryMPI.cc acceleratorAllocDevice 2147483648bytes at 0x7fcd80000000 for comms buffers 
-Setting up IPC
-
-__|__|__|__|__|__|__|__|__|__|__|__|__|__|__
-__|__|__|__|__|__|__|__|__|__|__|__|__|__|__
-__|_ |  |  |  |  |  |  |  |  |  |  |  | _|__
-__|_                                    _|__
-__|_   GGGG    RRRR    III    DDDD      _|__
-__|_  G        R   R    I     D   D     _|__
-__|_  G        R   R    I     D    D    _|__
-__|_  G  GG    RRRR     I     D    D    _|__
-__|_  G   G    R  R     I     D   D     _|__
-__|_   GGGG    R   R   III    DDDD      _|__
-__|_                                    _|__
-__|__|__|__|__|__|__|__|__|__|__|__|__|__|__
-__|__|__|__|__|__|__|__|__|__|__|__|__|__|__
-  |  |  |  |  |  |  |  |  |  |  |  |  |  |  
-
-
-Copyright (C) 2015 Peter Boyle, Azusa Yamaguchi, Guido Cossu, Antonin Portelli and other authors
-
-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.
-Current Grid git commit hash=9d2238148c56e3fbadfa95dcabf2b83d4bde14cd: (HEAD -> develop) uncommited changes
-
-Grid : Message : ================================================ 
-Grid : Message : MPI is initialised and logging filters activated 
-Grid : Message : ================================================ 
-Grid : Message : Requested 2147483648 byte stencil comms buffers 
-Grid : Message : MemoryManager Cache 34004218675 bytes 
-Grid : Message : MemoryManager::Init() setting up
-Grid : Message : MemoryManager::Init() cache pool for recent allocations: SMALL 32 LARGE 8
-Grid : Message : MemoryManager::Init() Non unified: Caching accelerator data in dedicated memory
-Grid : Message : MemoryManager::Init() Using cudaMalloc
-Grid : Message : 1.198523 s : Grid Layout
-Grid : Message : 1.198530 s : 	Global lattice size  : 64 64 64 64 
-Grid : Message : 1.198534 s : 	OpenMP threads       : 4
-Grid : Message : 1.198535 s : 	MPI tasks            : 2 2 2 2 
-Grid : Message : 1.397615 s : Making s innermost grids
-Grid : Message : 1.441828 s : Initialising 4d RNG
-Grid : Message : 1.547973 s : Intialising parallel RNG with unique string 'The 4D RNG'
-Grid : Message : 1.547998 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
-Grid : Message : 1.954777 s : Initialising 5d RNG
-Grid : Message : 3.633825 s : Intialising parallel RNG with unique string 'The 5D RNG'
-Grid : Message : 3.633869 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
-Grid : Message : 12.162710 s : Initialised RNGs
-Grid : Message : 15.882520 s : Drawing gauge field
-Grid : Message : 15.816362 s : Random gauge initialised 
-Grid : Message : 17.279671 s : Setting up Cshift based reference 
-Grid : Message : 26.331426 s : *****************************************************************
-Grid : Message : 26.331452 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
-Grid : Message : 26.331454 s : *****************************************************************
-Grid : Message : 26.331456 s : *****************************************************************
-Grid : Message : 26.331458 s : * Benchmarking DomainWallFermionR::Dhop                  
-Grid : Message : 26.331459 s : * Vectorising space-time by 8
-Grid : Message : 26.331463 s : * VComplexF size is 64 B
-Grid : Message : 26.331465 s : * SINGLE precision 
-Grid : Message : 26.331467 s : * Using Overlapped Comms/Compute
-Grid : Message : 26.331468 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 26.331469 s : *****************************************************************
-Grid : Message : 28.413717 s : Called warmup
-Grid : Message : 56.418423 s : Called Dw 3000 times in 2.80047e+07 us
-Grid : Message : 56.418476 s : mflop/s =   3.79581e+07
-Grid : Message : 56.418479 s : mflop/s per rank =  2.37238e+06
-Grid : Message : 56.418481 s : mflop/s per node =  9.48953e+06
-Grid : Message : 56.418483 s : RF  GiB/s (base 2) =   77130
-Grid : Message : 56.418485 s : mem GiB/s (base 2) =   48206.3
-Grid : Message : 56.422076 s : norm diff   1.03481e-13
-Grid : Message : 56.456894 s : #### Dhop calls report 
-Grid : Message : 56.456899 s : WilsonFermion5D Number of DhopEO Calls   : 6002
-Grid : Message : 56.456903 s : WilsonFermion5D TotalTime   /Calls        : 4710.93 us
-Grid : Message : 56.456905 s : WilsonFermion5D CommTime    /Calls        : 3196.15 us
-Grid : Message : 56.456908 s : WilsonFermion5D FaceTime    /Calls        : 494.392 us
-Grid : Message : 56.456910 s : WilsonFermion5D ComputeTime1/Calls        : 44.4107 us
-Grid : Message : 56.456912 s : WilsonFermion5D ComputeTime2/Calls        : 1037.75 us
-Grid : Message : 56.456921 s : Average mflops/s per call                : 3.55691e+09
-Grid : Message : 56.456925 s : Average mflops/s per call per rank       : 2.22307e+08
-Grid : Message : 56.456928 s : Average mflops/s per call per node       : 8.89228e+08
-Grid : Message : 56.456930 s : Average mflops/s per call (full)         : 3.82915e+07
-Grid : Message : 56.456933 s : Average mflops/s per call per rank (full): 2.39322e+06
-Grid : Message : 56.456952 s : Average mflops/s per call per node (full): 9.57287e+06
-Grid : Message : 56.456954 s : WilsonFermion5D Stencil
-Grid : Message : 56.457016 s :  Stencil calls 3001
-Grid : Message : 56.457022 s :  Stencil halogtime 0
-Grid : Message : 56.457024 s :  Stencil gathertime 55.9154
-Grid : Message : 56.457026 s :  Stencil gathermtime 20.1073
-Grid : Message : 56.457028 s :  Stencil mergetime 18.5585
-Grid : Message : 56.457030 s :  Stencil decompresstime 0.0639787
-Grid : Message : 56.457032 s :  Stencil comms_bytes 4.02653e+08
-Grid : Message : 56.457034 s :  Stencil commtime 6379.93
-Grid : Message : 56.457036 s :  Stencil 63.1124 GB/s per rank
-Grid : Message : 56.457038 s :  Stencil 252.45 GB/s per node
-Grid : Message : 56.457040 s : WilsonFermion5D StencilEven
-Grid : Message : 56.457048 s : WilsonFermion5D StencilOdd
-Grid : Message : 56.457062 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 56.457065 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 56.457066 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 79.259261 s : Compare to naive wilson implementation Dag to verify correctness
-Grid : Message : 79.259287 s : Called DwDag
-Grid : Message : 79.259288 s : norm dag result 12.0421
-Grid : Message : 79.271740 s : norm dag ref    12.0421
-Grid : Message : 79.287759 s : norm dag diff   7.63236e-14
-Grid : Message : 79.328100 s : Calling Deo and Doe and //assert Deo+Doe == Dunprec
-Grid : Message : 79.955951 s : src_e0.499997
-Grid : Message : 80.633620 s : src_o0.500003
-Grid : Message : 80.164163 s : *********************************************************
-Grid : Message : 80.164168 s : * Benchmarking DomainWallFermionF::DhopEO                
-Grid : Message : 80.164170 s : * Vectorising space-time by 8
-Grid : Message : 80.164172 s : * SINGLE precision 
-Grid : Message : 80.164174 s : * Using Overlapped Comms/Compute
-Grid : Message : 80.164177 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 80.164178 s : *********************************************************
-Grid : Message : 93.797635 s : Deo mflop/s =   3.93231e+07
-Grid : Message : 93.797670 s : Deo mflop/s per rank   2.45769e+06
-Grid : Message : 93.797672 s : Deo mflop/s per node   9.83077e+06
-Grid : Message : 93.797674 s : #### Dhop calls report 
-Grid : Message : 93.797675 s : WilsonFermion5D Number of DhopEO Calls   : 3001
-Grid : Message : 93.797677 s : WilsonFermion5D TotalTime   /Calls        : 4542.83 us
-Grid : Message : 93.797679 s : WilsonFermion5D CommTime    /Calls        : 2978.97 us
-Grid : Message : 93.797681 s : WilsonFermion5D FaceTime    /Calls        : 602.287 us
-Grid : Message : 93.797683 s : WilsonFermion5D ComputeTime1/Calls        : 67.1416 us
-Grid : Message : 93.797685 s : WilsonFermion5D ComputeTime2/Calls        : 1004.07 us
-Grid : Message : 93.797713 s : Average mflops/s per call                : 3.30731e+09
-Grid : Message : 93.797717 s : Average mflops/s per call per rank       : 2.06707e+08
-Grid : Message : 93.797719 s : Average mflops/s per call per node       : 8.26827e+08
-Grid : Message : 93.797721 s : Average mflops/s per call (full)         : 3.97084e+07
-Grid : Message : 93.797727 s : Average mflops/s per call per rank (full): 2.48178e+06
-Grid : Message : 93.797732 s : Average mflops/s per call per node (full): 9.92711e+06
-Grid : Message : 93.797735 s : WilsonFermion5D Stencil
-Grid : Message : 93.797746 s : WilsonFermion5D StencilEven
-Grid : Message : 93.797758 s : WilsonFermion5D StencilOdd
-Grid : Message : 93.797769 s :  Stencil calls 3001
-Grid : Message : 93.797773 s :  Stencil halogtime 0
-Grid : Message : 93.797776 s :  Stencil gathertime 56.7458
-Grid : Message : 93.797780 s :  Stencil gathermtime 22.6504
-Grid : Message : 93.797782 s :  Stencil mergetime 21.1913
-Grid : Message : 93.797786 s :  Stencil decompresstime 0.0556481
-Grid : Message : 93.797788 s :  Stencil comms_bytes 2.01327e+08
-Grid : Message : 93.797791 s :  Stencil commtime 2989.33
-Grid : Message : 93.797795 s :  Stencil 67.3484 GB/s per rank
-Grid : Message : 93.797798 s :  Stencil 269.394 GB/s per node
-Grid : Message : 93.797801 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 93.797803 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 93.797805 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 93.873429 s : r_e6.02111
-Grid : Message : 93.879931 s : r_o6.02102
-Grid : Message : 93.885912 s : res12.0421
-Grid : Message : 94.876555 s : norm diff   0
-Grid : Message : 95.485643 s : norm diff even  0
-Grid : Message : 95.581236 s : norm diff odd   0

systems/Tursa/dwf16.slurm

@@ -29,5 +29,14 @@ mpirun -np $SLURM_NTASKS -x LD_LIBRARY_PATH  --bind-to none ./mpiwrapper.sh \
 	--mpi 2.2.2.8 \
        	--accelerator-threads 8 \
 	--grid 64.64.64.256 \
-	--shm 2048 > dwf.16node.perf
+	--shm 2048 
+
+
+mpirun -np $SLURM_NTASKS -x LD_LIBRARY_PATH  --bind-to none ./mpiwrapper.sh \
+       	./benchmarks/Benchmark_dwf_fp32 \
+	$OPT \
+	--mpi 2.2.2.8 \
+       	--accelerator-threads 8 \
+	--grid 48.48.48.192 \
+	--shm 2048
 

systems/Tursa/dwf4.slurm

@@ -34,5 +34,16 @@ mpirun -np $SLURM_NTASKS -x LD_LIBRARY_PATH  --bind-to none \
 	--shm 2048 > dwf.4node.perf
 
 
+mpirun -np $SLURM_NTASKS -x LD_LIBRARY_PATH  --bind-to none \
+	./mpiwrapper.sh \
+	./benchmarks/Benchmark_dwf_fp32 \
+	$OPT \
+	--mpi 2.2.2.2 \
+	--accelerator-threads 8 \
+	--grid 64.64.64.64 \
+	--shm 2048 > comms.4node.perf
+
+
+
 
 

systems/Tursa/sourceme.sh

@@ -1,2 +1,5 @@
-spack load c-lime
 module load cuda/11.4.1 openmpi/4.1.1 ucx/1.10.1
+export PREFIX=/home/tc002/tc002/shared/env/prefix/
+export LD_LIBRARY_PATH=$PREFIX/lib/:$LD_LIBRARY_PATH
+unset SBATCH_EXPORT
+

tests/core/Test_ddhmc_matrices.cc

@@ -0,0 +1,511 @@
+   /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_ddhmc_matrices.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <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 */
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  int threads = GridThread::GetThreads();
+  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
+
+  const int Ls=8;
+  const int Nt=32;
+  auto latt = GridDefaultLatt();
+  latt[3] = Nt;
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  GridCartesian         * UGridF   = SpaceTimeGrid::makeFourDimGrid(latt, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
+  GridCartesian         * FGridF   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  GridRedBlackCartesian * UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  GridRedBlackCartesian * FrbGridF = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  std::vector<int> seeds4({1,2,3,4});
+  std::vector<int> seeds5({5,6,7,8});
+
+  GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+  GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+
+  LatticeFermion src   (FGrid); gaussian(RNG5,src);
+  LatticeFermion phi   (FGrid); gaussian(RNG5,phi);
+  LatticeFermion chi   (FGrid); gaussian(RNG5,chi);
+  LatticeFermion result(FGrid); result=Zero();
+  LatticeFermion    ref(FGrid);    ref=Zero();
+  LatticeFermion    tmp(FGrid);    tmp=Zero();
+  LatticeFermion    tmp1(FGrid);
+  LatticeFermion    err(FGrid);    tmp=Zero();
+  LatticeFermion    zz(FGrid);     zz =Zero();
+  LatticeGaugeField Umu(UGrid); SU<Nc>::HotConfiguration(RNG4,Umu);
+  LatticeGaugeFieldF UmuF(UGridF);
+  precisionChange(UmuF,Umu);
+
+  RealD mass=0.1;
+  RealD M5  =1.8;
+
+  DomainWallFermionR DdwfPeri(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  DomainWallFermionF DdwfPeriF(UmuF,*FGridF,*FrbGridF,*UGridF,*UrbGridF,mass,M5);
+
+  typedef DomainWallFermionR::Impl_t FimplD;
+  typedef DomainWallFermionF::Impl_t FimplF;
+  typedef DirichletFermionOperator<FimplD> FermOp;
+  typedef DirichletFermionOperator<FimplF> FermOpF;
+  Coordinate Block({0,0,0,Nt/2});
+
+  DomainWallFermionR DdwfPeriTmp(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  DomainWallFermionF DdwfPeriTmpF(UmuF,*FGridF,*FrbGridF,*UGridF,*UrbGridF,mass,M5);
+  FermOp  Ddwf(DdwfPeriTmp,Block); 
+  FermOpF DdwfF(DdwfPeriTmpF,Block); 
+  Ddwf.ImportGauge(Umu);
+  DdwfF.ImportGauge(UmuF);
+  
+  LatticeFermion src_e (FrbGrid);
+  LatticeFermion src_o (FrbGrid);
+  LatticeFermion r_e   (FrbGrid);
+  LatticeFermion r_o   (FrbGrid);
+  LatticeFermion r_eo  (FGrid);
+  LatticeFermion r_eeoo(FGrid);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that Meo + Moe + Moo + Mee = Munprec "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  
+  pickCheckerboard(Even,src_e,src);
+  pickCheckerboard(Odd,src_o,src);
+  Ddwf.Meooe(src_e,r_o);  std::cout<<GridLogMessage<<"Applied Meo"<<std::endl;
+  Ddwf.Meooe(src_o,r_e);  std::cout<<GridLogMessage<<"Applied Moe"<<std::endl;
+  setCheckerboard(r_eo,r_o);
+  setCheckerboard(r_eo,r_e);
+
+  Ddwf.Mooee(src_e,r_e);  std::cout<<GridLogMessage<<"Applied Mee"<<std::endl;
+  Ddwf.Mooee(src_o,r_o);  std::cout<<GridLogMessage<<"Applied Moo"<<std::endl;
+  setCheckerboard(r_eeoo,r_e);
+  setCheckerboard(r_eeoo,r_o);
+
+  r_eo=r_eo+r_eeoo;
+  Ddwf.M(src,ref);  
+
+  //  std::cout<<GridLogMessage << r_eo<<std::endl;
+  //  std::cout<<GridLogMessage << ref <<std::endl;
+
+  err= ref - r_eo;
+  std::cout<<GridLogMessage << "EO norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(r_eo) <<std::endl;
+    
+  LatticeComplex cerr(FGrid);
+  cerr = localInnerProduct(err,err);
+  //  std::cout<<GridLogMessage << cerr<<std::endl;
+
+
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Test Ddagger is the dagger of D by requiring                "<<std::endl;
+  std::cout<<GridLogMessage<<"=  < phi | Deo | chi > * = < chi | Deo^dag| phi>  "<<std::endl;
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  
+  LatticeFermion chi_e   (FrbGrid);
+  LatticeFermion chi_o   (FrbGrid);
+
+  LatticeFermion dchi_e  (FrbGrid);
+  LatticeFermion dchi_o  (FrbGrid);
+
+  LatticeFermion phi_e   (FrbGrid);
+  LatticeFermion phi_o   (FrbGrid);
+
+  LatticeFermion dphi_e  (FrbGrid);
+  LatticeFermion dphi_o  (FrbGrid);
+
+  pickCheckerboard(Even,chi_e,chi);
+  pickCheckerboard(Odd ,chi_o,chi);
+  pickCheckerboard(Even,phi_e,phi);
+  pickCheckerboard(Odd ,phi_o,phi);
+
+  Ddwf.Meooe(chi_e,dchi_o);
+  Ddwf.Meooe(chi_o,dchi_e);
+  Ddwf.MeooeDag(phi_e,dphi_o);
+  Ddwf.MeooeDag(phi_o,dphi_e);
+
+  ComplexD pDce = innerProduct(phi_e,dchi_e);
+  ComplexD pDco = innerProduct(phi_o,dchi_o);
+  ComplexD cDpe = innerProduct(chi_e,dphi_e);
+  ComplexD cDpo = innerProduct(chi_o,dphi_o);
+
+  std::cout<<GridLogMessage <<"e "<<pDce<<" "<<cDpe <<std::endl;
+  std::cout<<GridLogMessage <<"o "<<pDco<<" "<<cDpo <<std::endl;
+
+  std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDce-conj(cDpo) <<std::endl;
+  std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDco-conj(cDpe) <<std::endl;
+
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Test MeeInv Mee = 1                                         "<<std::endl;
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+
+  pickCheckerboard(Even,chi_e,chi);
+  pickCheckerboard(Odd ,chi_o,chi);
+
+  Ddwf.Mooee(chi_e,src_e);
+  Ddwf.MooeeInv(src_e,phi_e);
+
+  Ddwf.Mooee(chi_o,src_o);
+  Ddwf.MooeeInv(src_o,phi_o);
+  
+  setCheckerboard(phi,phi_e);
+  setCheckerboard(phi,phi_o);
+
+  err = phi-chi;
+  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<< std::endl;
+
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Test MeeInvDag MeeDag = 1                                   "<<std::endl;
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+
+  pickCheckerboard(Even,chi_e,chi);
+  pickCheckerboard(Odd ,chi_o,chi);
+
+  Ddwf.MooeeDag(chi_e,src_e);
+  Ddwf.MooeeInvDag(src_e,phi_e);
+
+  Ddwf.MooeeDag(chi_o,src_o);
+  Ddwf.MooeeInvDag(src_o,phi_o);
+  
+  setCheckerboard(phi,phi_e);
+  setCheckerboard(phi,phi_o);
+
+  err = phi-chi;
+  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<< std::endl;
+
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Test MpcDagMpc is Hermitian              "<<std::endl;
+  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
+  
+  gaussian(RNG5,phi);
+  gaussian(RNG5,chi);
+  pickCheckerboard(Even,chi_e,chi);
+  pickCheckerboard(Odd ,chi_o,chi);
+  pickCheckerboard(Even,phi_e,phi);
+  pickCheckerboard(Odd ,phi_o,phi);
+  RealD t1,t2;
+
+
+  SchurDiagMooeeOperator<FermOp,LatticeFermion> HermOpEO(Ddwf);
+  HermOpEO.MpcDagMpc(chi_e,dchi_e);
+  HermOpEO.MpcDagMpc(chi_o,dchi_o);
+
+  HermOpEO.MpcDagMpc(phi_e,dphi_e);
+  HermOpEO.MpcDagMpc(phi_o,dphi_o);
+
+  pDce = innerProduct(phi_e,dchi_e);
+  pDco = innerProduct(phi_o,dchi_o);
+  cDpe = innerProduct(chi_e,dphi_e);
+  cDpo = innerProduct(chi_o,dphi_o);
+
+  std::cout<<GridLogMessage <<"e "<<pDce<<" "<<cDpe <<std::endl;
+  std::cout<<GridLogMessage <<"o "<<pDco<<" "<<cDpo <<std::endl;
+
+  std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDco-conj(cDpo) <<std::endl;
+  std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDce-conj(cDpe) <<std::endl;
+  
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing one direction at a time "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  tmp = Zero();
+  for(int mu=0;mu<Nd;mu++){
+
+    std::vector<TComplex> slice_ref;
+    std::vector<TComplex> slice_result;
+
+    // 5D - Ls is innermost This now annoys me.
+    DdwfPeri.Mdir(src,ref   ,mu+1,-1);
+    Ddwf.Mdir(src,result,mu+1,-1);
+
+    tmp = tmp + result;
+    
+    auto lip = localInnerProduct(result,result);
+    ref = ref - result;
+    auto dip = localInnerProduct(ref,ref);
+
+    sliceSum(lip,slice_result,mu+1);
+    sliceSum(dip,slice_ref,mu+1);
+    for(int t=0;t<latt[mu];t++){
+      std::cout << "mu="<<mu<<" result["<<t<<"] "<<slice_result[t]<<" delta "<<slice_ref[t]<<std::endl;
+      //      if( (t%Block[mu]) !=0) assert(norm2(slice_ref[t]) < 1.0e-10);
+      //      else assert(norm2(slice_result[t]) == 0.0);
+    }
+
+    // Opposite dir
+    DdwfPeri.Mdir(src,ref   ,mu+1,1);
+    Ddwf.Mdir(src,result,mu+1,1);
+
+    tmp = tmp + result;
+    
+    lip = localInnerProduct(result,result);
+    ref = ref - result;
+    dip = localInnerProduct(ref,ref);
+
+    sliceSum(lip,slice_result,mu+1);
+    sliceSum(dip,slice_ref,mu+1);
+    for(int t=0;t<latt[mu];t++){
+      std::cout << "mu="<<mu<<" result["<<t<<"] "<<slice_result[t]<<" delta "<<slice_ref[t]<<std::endl;
+      //if( (t%Block[mu]) != Block[mu]-1) assert(norm2(slice_ref[t]) < 1.0e-10);
+      //else assert(norm2(slice_result[t]) == 0.0);
+    }
+
+  }
+  pickCheckerboard(Even,src_e,src);
+  pickCheckerboard(Odd,src_o,src);
+  Ddwf.Meooe(src_e,r_o);  std::cout<<GridLogMessage<<"Applied Meo"<<std::endl;
+  Ddwf.Meooe(src_o,r_e);  std::cout<<GridLogMessage<<"Applied Moe"<<std::endl;
+  setCheckerboard(r_eo,r_o);
+  setCheckerboard(r_eo,r_e);
+  ref = r_eo - tmp;
+  std::cout << " Difference between Moffdiag and sum over directions is "<<norm2(ref)<<std::endl;
+  assert(norm2(ref)<1.0e-10);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that POmega+POmegaBar = 1 "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  SchurFactoredFermionOperator<FimplD,FimplF> Schur(DdwfPeri,DdwfPeriF,
+						    Ddwf,DdwfF,
+						    Block);
+  
+  result = src;
+  Schur.ProjectOmega(result);
+  DumpSliceNorm("Omega",result,Nd);
+  tmp = src;
+  Schur.ProjectOmegaBar(tmp);
+  DumpSliceNorm("OmegaBar",tmp,Nd);
+  std::cout << " norm2(src) "<<norm2(src)<< " "<< norm2(result)<<" "<<norm2(tmp)<<std::endl;
+  result = result + tmp - src;
+  std::cout << " diff = "<<norm2(result)<<std::endl;
+  assert(norm2(result)<=1.0e-8);
+ 
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dBoundary+dBoundaryBar+dOmega+dOmegaBar = Munprec "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  Schur.dBoundary    (src,tmp); result=tmp;        std::cout << "dBoundary    "<<norm2(tmp)<<std::endl;
+  DumpSliceNorm("dBoundary",tmp,Nd);
+  Schur.dBoundaryBar (src,tmp); result=result+tmp; std::cout << "dBoundaryBar "<<norm2(tmp)<<std::endl;
+  DumpSliceNorm("dBoundaryBar",tmp,Nd);
+  Schur.dOmega       (src,tmp); result=result+tmp; std::cout << "dOmega       "<<norm2(tmp)<<std::endl;
+  DumpSliceNorm("dOmega",tmp,Nd);
+  Schur.dOmegaBar    (src,tmp); result=result+tmp; std::cout << "dOmegaBar    "<<norm2(tmp)<<std::endl;
+  DumpSliceNorm("dOmegaBar",tmp,Nd);
+
+  DdwfPeri.M(src,ref);  
+  err= ref - result;
+  std::cout<<GridLogMessage << " norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(result) <<std::endl;
+  assert(norm2(err)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that (dBoundary+dBoundaryBar+dOmega+dOmegaBar)dag = Mdag "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  Schur.dBoundaryDag    (src,tmp); result=tmp;        std::cout << "dBoundaryDag    "<<norm2(tmp)<<std::endl;
+  Schur.dBoundaryBarDag (src,tmp); result=result+tmp; std::cout << "dBoundaryBarDag "<<norm2(tmp)<<std::endl;
+  Schur.dOmegaDag       (src,tmp); result=result+tmp; std::cout << "dOmegaDag       "<<norm2(tmp)<<std::endl;
+  Schur.dOmegaBarDag    (src,tmp); result=result+tmp; std::cout << "dOmegaBarDag    "<<norm2(tmp)<<std::endl;
+
+  DdwfPeri.Mdag(src,ref);  
+  err= ref - result;
+  std::cout<<GridLogMessage << " norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(result) <<std::endl;
+  assert(norm2(err)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that <chi|dBoundary|phi> =  <phi|dBoundaryDag|chi>^* "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+ 
+  Schur.dBoundary(phi,tmp);       std::cout << "<chi|dBoundary|phi>"<<innerProduct(chi,tmp)<<std::endl;
+  Schur.dBoundaryDag(chi,tmp);    std::cout << "<phi|dBoundaryDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
+
+  Schur.dBoundaryBar(phi,tmp);    std::cout << "<chi|dBoundaryBar|phi>"<<innerProduct(chi,tmp)<<std::endl;
+  Schur.dBoundaryBarDag(chi,tmp); std::cout << "<phi|dBoundaryBarDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
+
+  Schur.dOmega(phi,tmp);       std::cout << "<chi|dOmega|phi>"<<innerProduct(chi,tmp)<<std::endl;
+  Schur.dOmegaDag(chi,tmp);    std::cout << "<phi|dOmegaDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
+
+  Schur.dOmegaBar(phi,tmp);    std::cout << "<chi|dOmegaBar|phi>"<<innerProduct(chi,tmp)<<std::endl;
+  Schur.dOmegaBarDag(chi,tmp); std::cout << "<phi|dOmegaBarDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
+  
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dBoundary ProjectBoundary = dBoundary "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectBoundary(tmp);
+  Schur.dBoundary(tmp,result);
+  Schur.dBoundary(src,tmp);
+  result=result - tmp;
+  std::cout << " diff = "<<norm2(result)<< " result "<<norm2(tmp)<<" "<<norm2(src)<<std::endl;
+  assert(norm2(result)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dBoundaryBar ProjectBoundaryBar = dBoundaryBar "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectBoundaryBar(tmp);
+  Schur.dBoundaryBar(tmp,result);
+  Schur.dBoundaryBar(src,tmp);
+  result=result - tmp;
+  std::cout << " diff = "<<norm2(result)<< " result "<<norm2(tmp)<<std::endl;
+  assert(norm2(result)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dOmega dOmegaInv = 1 "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectOmega(tmp);
+  Schur.dOmega(tmp,tmp1);
+  Schur.dOmegaInv(tmp1,result);
+  tmp=tmp-result;
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dOmegaBar dOmegaBarInv = 1 "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectOmegaBar(tmp);
+  Schur.dOmegaBar(tmp,tmp1);
+  Schur.dOmegaBarInv(tmp1,result);
+
+  tmp=tmp-result;
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dOmegaDag dOmegaDagInv = 1 "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectOmega(tmp);
+  Schur.dOmegaDag(tmp,tmp1);
+  Schur.dOmegaDagInv(tmp1,result);
+  tmp=tmp-result;
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<=1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that dOmegaBarDag dOmegaBarDagInv = 1 "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = src;
+  Schur.ProjectOmegaBar(tmp);
+  Schur.dOmegaBarDag(tmp,tmp1);
+  Schur.dOmegaBarDagInv(tmp1,result);
+  tmp=tmp-result;
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<=1.0e-8);
+
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that R RInv = PboundaryBar "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  LatticeFermion Rphi   (FGrid);
+  LatticeFermion Rdagchi(FGrid);
+
+  tmp = phi;
+  Schur.R(tmp,Rphi);
+  Schur.RInv(Rphi,result);
+
+  tmp = phi;
+  Schur.ProjectBoundaryBar(tmp);
+  //  std::cout << "Project Boundary Bar" << tmp<< std::endl;
+  
+  tmp=tmp-result;
+
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<1.0e-8);
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that Rdag RInvdag = PboundaryBar "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  tmp = chi;
+  Schur.RDag(tmp,Rdagchi);
+  Schur.RDagInv(Rdagchi,result);
+
+  tmp = chi;
+  Schur.ProjectBoundaryBar(tmp);
+  tmp=tmp-result;
+
+  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
+  assert(norm2(tmp)<1.0e-8);
+  
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing that <chi|R|phi> = <phi|Rdag|chi>* "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  std::cout << "<chi|R|phi>"<<innerProduct(chi,Rphi)<<std::endl;
+  std::cout << "<phi|Rdag|chi>"<<innerProduct(phi,Rdagchi)<<std::endl;
+
+
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+  std::cout<<GridLogMessage<<"= Testing the sliced evolution of spin structured noise   "<<std::endl;
+  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
+
+  Gamma::Algebra Gmu [] = {
+    Gamma::Algebra::GammaX,
+    Gamma::Algebra::GammaY,
+    Gamma::Algebra::GammaZ,
+    Gamma::Algebra::GammaT
+  };
+  int hits=2;
+  int isDWF=1;
+  std::cout << " latt " << latt <<" Nd "<<FGrid->Nd()<<" dims "<<FGrid->GlobalDimensions()<<std::endl;
+  LatticeInteger coor(FGrid);
+  for(int mu=0;mu<Nd;mu++){
+    Gamma G(Gmu[mu]);
+    int plane = latt[mu]/2;
+    for(int hit=0;hit<hits;hit++){
+
+      std::cout<<GridLogMessage<<"mu="<<mu<<" hit "<<hit<<std::endl;
+      LatticeCoordinate(coor,mu+isDWF);
+
+      gaussian(RNG5,src);
+      tmp = src - G*src;
+      src = src + G*src;
+      src= where(coor==Integer(plane),src,zz);
+      src= where(coor==Integer(0),tmp,src);
+
+      Schur.Dinverse(src,tmp);  
+      DumpSliceNorm("1+/-gamma_mu",tmp,mu+isDWF);
+
+    }
+  }
+
+  
+  Grid_finalize();
+}

tests/core/Test_fft.cc

@@ -299,12 +299,12 @@ int main (int argc, char ** argv)
     SpinColourVectorD ferm; gaussian(sRNG,ferm);
     pokeSite(ferm,src,point);
 
-    const int Ls=32;
+    const int Ls=64;
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=0.01;
+    RealD mass=1.0;
-    RealD M5  =0.8;
+    RealD M5  =0.99;
     DomainWallFermionD Ddwf(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5);
 
     // Momentum space prop
@@ -353,6 +353,12 @@ int main (int argc, char ** argv)
     std::cout << " Taking difference" <<std::endl;
     std::cout << "Ddwf result4 "<<norm2(result4)<<std::endl;
     std::cout << "Ddwf ref     "<<norm2(ref)<<std::endl;
+    auto twopoint = localInnerProduct(result4,result4);
+    std::vector<TComplex> pion_prop;
+    sliceSum(twopoint,pion_prop,Nd-1);
+    for(int t=0;t<pion_prop.size();t++){
+      std::cout << "Pion_prop["<<t<<"]="<<pion_prop[t]<<std::endl;
+    }
     
     diff = ref - result4;
     std::cout << "result - ref     "<<norm2(diff)<<std::endl;
@@ -383,7 +389,7 @@ int main (int argc, char ** argv)
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=0.01;
+    RealD mass=1.0;
     RealD M5  =0.8;
 
     OverlapWilsonCayleyTanhFermionD Dov(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5,1.0);

tests/core/Test_gparity.cc

@@ -55,13 +55,17 @@ static_assert(same_vComplex == 1, "Dirac Operators must have same underlying SIM
 int main (int argc, char ** argv)
 {
   int nu = 0;
-
+  int tbc_aprd = 0; //use antiperiodic BCs in the time direction?
+  
   Grid_init(&argc,&argv);
 
   for(int i=1;i<argc;i++){
     if(std::string(argv[i]) == "--Gparity-dir"){
       std::stringstream ss; ss << argv[i+1]; ss >> nu;
       std::cout << GridLogMessage << "Set Gparity direction to " << nu << std::endl;
+    }else if(std::string(argv[i]) == "--Tbc-APRD"){
+      tbc_aprd = 1;
+      std::cout << GridLogMessage << "Using antiperiodic BCs in the time direction" << std::endl;
     }
   }
 
@@ -155,13 +159,18 @@ int main (int argc, char ** argv)
 
   //Coordinate grid for reference
   LatticeInteger    xcoor_1f5(FGrid_1f);
-  LatticeCoordinate(xcoor_1f5,1+nu);
+  LatticeCoordinate(xcoor_1f5,1+nu); //note '1+nu'! This is because for 5D fields the s-direction is direction 0
   Replicate(src,src_1f);
   src_1f   = where( xcoor_1f5 >= Integer(L), 2.0*src_1f,src_1f );
 
   RealD mass=0.0;
   RealD M5=1.8;
-  StandardDiracOp Ddwf(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5 DOP_PARAMS);
+
+  //Standard Dirac op
+  AcceleratorVector<Complex,4> bc_std(Nd, 1.0);
+  if(tbc_aprd) bc_std[Nd-1] = -1.; //antiperiodic time BC
+  StandardDiracOp::ImplParams std_params(bc_std);
+  StandardDiracOp Ddwf(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5 DOP_PARAMS, std_params);
 
   StandardFermionField    src_o_1f(FrbGrid_1f);
   StandardFermionField result_o_1f(FrbGrid_1f);
@@ -172,9 +181,11 @@ int main (int argc, char ** argv)
   ConjugateGradient<StandardFermionField> CG(1.0e-8,10000);
   CG(HermOpEO,src_o_1f,result_o_1f);
   
-  //  const int nu = 3;
+  //Gparity Dirac op
   std::vector<int> twists(Nd,0);
   twists[nu] = 1;
+  if(tbc_aprd) twists[Nd-1] = 1;
+
   GparityDiracOp::ImplParams params;
   params.twists = twists;
   GparityDiracOp GPDdwf(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f,mass,M5 DOP_PARAMS,params);
@@ -271,8 +282,11 @@ int main (int argc, char ** argv)
   std::cout << "2f cb "<<result_o_2f.Checkerboard()<<std::endl;
   std::cout << "1f cb "<<result_o_1f.Checkerboard()<<std::endl;
 
-  std::cout << " result norms " <<norm2(result_o_2f)<<" " <<norm2(result_o_1f)<<std::endl;
+  //Compare norms
+  std::cout << " result norms 2f: " <<norm2(result_o_2f)<<" 1f: " <<norm2(result_o_1f)<<std::endl;
 
+
+  //Take the 2f solution and convert into the corresponding 1f solution (odd cb only)
   StandardFermionField    res0o  (FrbGrid_2f); 
   StandardFermionField    res1o  (FrbGrid_2f); 
   StandardFermionField    res0  (FGrid_2f); 
@@ -281,14 +295,15 @@ int main (int argc, char ** argv)
   res0=Zero();
   res1=Zero();
 
-  res0o = PeekIndex<0>(result_o_2f,0);
+  res0o = PeekIndex<0>(result_o_2f,0); //flavor 0, odd cb
-  res1o = PeekIndex<0>(result_o_2f,1);
+  res1o = PeekIndex<0>(result_o_2f,1); //flavor 1, odd cb
 
   std::cout << "res cb "<<res0o.Checkerboard()<<std::endl;
   std::cout << "res cb "<<res1o.Checkerboard()<<std::endl;
 
-  setCheckerboard(res0,res0o);
+  //poke odd onto non-cb field
-  setCheckerboard(res1,res1o);
+  setCheckerboard(res0,res0o); 
+  setCheckerboard(res1,res1o); 
 
   StandardFermionField replica (FGrid_1f);
   StandardFermionField replica0(FGrid_1f);
@@ -296,12 +311,13 @@ int main (int argc, char ** argv)
   Replicate(res0,replica0);
   Replicate(res1,replica1);
 
+  //2nd half of doubled lattice has f=1
   replica = where( xcoor_1f5 >= Integer(L), replica1,replica0 );
 
   replica0 = Zero();
   setCheckerboard(replica0,result_o_1f);
 
-  std::cout << "Norm2 solutions is " <<norm2(replica)<<" "<< norm2(replica0)<<std::endl;
+  std::cout << "Norm2 solutions 1f reconstructed from 2f: " <<norm2(replica)<<" Actual 1f: "<< norm2(replica0)<<std::endl;
 
   replica = replica - replica0;
   

tests/core/Test_gparity_flavour.cc

@@ -0,0 +1,177 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: ./tests/Test_gparity_flavour.cc
+
+Copyright (C) 2015-2017
+
+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 */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+static constexpr double                      tolerance = 1.0e-6;
+static std::array<GparityFlavourMatrix, GparityFlavour::nSigma> testAlgebra;
+
+void print(const GparityFlavourMatrix &g)
+{
+  for(int i = 0; i < Ngp; i++)
+  {
+    std::cout << GridLogMessage << "(";
+    for(int j=0;j<Ngp;j++){
+      if ( abs( g(i,j)()() ) == 0 ) {
+        std::cout<< " 0";
+      } else if ( abs(g(i,j)()() - Complex(0,1)) == 0){
+        std::cout<< " i";
+      } else if ( abs(g(i,j)()() + Complex(0,1)) == 0){
+        std::cout<< "-i";
+      } else if ( abs(g(i,j)()() - Complex(1,0)) == 0){
+        std::cout<< " 1";
+      } else if ( abs(g(i,j)()() + Complex(1,0)) == 0){
+        std::cout<< "-1";
+      }
+      std::cout<<((j == Ngp-1) ? ")" : "," );
+    }
+    std::cout << std::endl;
+  }
+  std::cout << GridLogMessage << std::endl;
+}
+
+void createTestAlgebra(void)
+{
+  std::array<GparityFlavourMatrix, 3> testg;
+  const Complex             I(0., 1.), mI(0., -1.);
+
+  // 0 1
+  // 1 0
+  testg[0] = Zero();
+  testg[0](0, 1)()() = 1.;
+  testg[0](1, 0)()() = 1.;
+  std::cout << GridLogMessage << "test SigmaX= " << std::endl;
+  print(testg[0]);
+
+  // 0 -i
+  // i  0
+  testg[1] = Zero();
+  testg[1](0, 1)()() = mI;
+  testg[1](1, 0)()() = I;
+  std::cout << GridLogMessage << "test SigmaY= " << std::endl;
+  print(testg[1]);
+
+  // 1  0
+  // 0 -1
+  testg[2] = Zero();
+  testg[2](0, 0)()() = 1.0;
+  testg[2](1, 1)()() = -1.0;
+  std::cout << GridLogMessage << "test SigmaZ= " << std::endl;
+  print(testg[2]);
+
+  
+#define DEFINE_TEST_G(g, exp)\
+testAlgebra[GparityFlavour::Algebra::g]        = exp; \
+testAlgebra[GparityFlavour::Algebra::Minus##g] = -exp;
+  
+  DEFINE_TEST_G(SigmaX      , testg[0]);
+  DEFINE_TEST_G(SigmaY      , testg[1]);
+  DEFINE_TEST_G(SigmaZ      , testg[2]);
+  DEFINE_TEST_G(Identity    , 1.);
+
+  GparityFlavourMatrix pplus;
+  pplus = 1.0;
+  pplus = pplus + testg[1];
+  pplus = pplus * 0.5;
+
+  DEFINE_TEST_G(ProjPlus    , pplus);
+  
+  GparityFlavourMatrix pminus;
+  pminus = 1.0;
+  pminus = pminus - testg[1];
+  pminus = pminus * 0.5;
+
+  DEFINE_TEST_G(ProjMinus    , pminus);
+
+#undef DEFINE_TEST_G
+}
+
+template <typename Expr>
+void test(const Expr &a, const Expr &b)
+{
+  if (norm2(a - b) < tolerance)
+  {
+    std::cout << "[OK] ";
+  }
+  else
+  {
+    std::cout << "[fail]" << std::endl;
+    std::cout << GridLogError << "a= " << a << std::endl;
+    std::cout << GridLogError << "is different (tolerance= " << tolerance << ") from " << std::endl;
+    std::cout << GridLogError << "b= " << b << std::endl;
+    exit(EXIT_FAILURE);
+  }
+}
+
+void checkSigma(const GparityFlavour::Algebra a, GridSerialRNG &rng)
+{
+  GparityFlavourVector v;
+  GparityFlavourMatrix m, &testg = testAlgebra[a];
+  GparityFlavour      g(a);
+  
+  random(rng, v);
+  random(rng, m);
+  
+  std::cout << GridLogMessage << "Checking " << GparityFlavour::name[a] << ": ";
+  std::cout << "vecmul ";
+  test(g*v, testg*v);
+  std::cout << "matlmul ";
+  test(g*m, testg*m);
+  std::cout << "matrmul ";
+  test(m*g, m*testg);
+  std::cout << std::endl;
+}
+
+int main(int argc, char *argv[])
+{
+  Grid_init(&argc,&argv);
+  
+  Coordinate latt_size   = GridDefaultLatt();
+  Coordinate simd_layout = GridDefaultSimd(4,vComplex::Nsimd());
+  Coordinate mpi_layout  = GridDefaultMpi();
+  
+  GridCartesian Grid(latt_size,simd_layout,mpi_layout);
+  GridSerialRNG sRNG;
+  
+  sRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+  
+  std::cout << GridLogMessage << "======== Test algebra" << std::endl;
+  createTestAlgebra();
+  std::cout << GridLogMessage << "======== Multiplication operators check" << std::endl;
+  for (int i = 0; i < GparityFlavour::nSigma; ++i)
+  {
+    checkSigma(i, sRNG);
+  }
+  std::cout << GridLogMessage << std::endl;
+  
+  Grid_finalize();
+  
+  return EXIT_SUCCESS;
+}

tests/core/Test_precision_change.cc

@@ -0,0 +1,114 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/core/Test_precision_change.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@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 */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+
+int main (int argc, char ** argv){
+  Grid_init(&argc, &argv);
+  int Ls = 16;
+  std::cout << GridLogMessage << "Lattice dimensions: " << GridDefaultLatt() << " and Ls=" << Ls << std::endl;
+  GridCartesian* UGrid_d = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexD::Nsimd()), GridDefaultMpi());
+  GridCartesian* FGrid_d = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_d);
+  GridRedBlackCartesian* FrbGrid_d = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_d);
+
+  GridCartesian* UGrid_f = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridCartesian* FGrid_f = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_f);
+  GridRedBlackCartesian* FrbGrid_f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_f);
+
+
+  std::vector<int> seeds4({1, 2, 3, 4});
+  std::vector<int> seeds5({5, 6, 7, 8});
+  GridParallelRNG RNG5(FGrid_d);
+  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid_d);
+  RNG4.SeedFixedIntegers(seeds4);
+
+  //Gauge fields
+  LatticeGaugeFieldD Umu_d(UGrid_d);
+  LatticeGaugeFieldF Umu_f(UGrid_f);
+  LatticeGaugeFieldD Umu_d_r(UGrid_d);
+  LatticeGaugeFieldD Utmp_d(UGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG4, Umu_d);
+
+    precisionChange(Umu_f, Umu_d);
+    std::cout << GridLogMessage << "Norm of double-prec and single-prec gauge fields (should be ~equal): " << norm2(Umu_d) << " " << norm2(Umu_f) << std::endl;
+    precisionChange(Umu_d_r, Umu_f);
+    RealD normdiff = axpy_norm(Utmp_d, -1.0, Umu_d_r, Umu_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec gauge fields (should be ~0) = " << normdiff << std::endl;
+  }
+
+  //Fermion fields
+  LatticeFermionD psi_d(FGrid_d);
+  LatticeFermionF psi_f(FGrid_f);
+  LatticeFermionD psi_d_r(FGrid_d);
+  LatticeFermionD psi_tmp_d(FGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG5, psi_d);
+
+    precisionChange(psi_f, psi_d);
+    std::cout << GridLogMessage << "Norm of double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_d) << " " << norm2(psi_f) << std::endl;
+    precisionChange(psi_d_r, psi_f);
+    RealD normdiff = axpy_norm(psi_tmp_d, -1.0, psi_d_r, psi_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+  }
+
+  //Checkerboarded fermion fields
+  LatticeFermionD psi_cb_d(FrbGrid_d);
+  LatticeFermionF psi_cb_f(FrbGrid_f);
+  LatticeFermionD psi_cb_d_r(FrbGrid_d);
+  LatticeFermionD psi_cb_tmp_d(FrbGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG5, psi_d);
+    pickCheckerboard(Odd, psi_cb_d, psi_d);
+     
+    precisionChange(psi_cb_f, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of odd-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
+    precisionChange(psi_cb_d_r, psi_cb_f);
+    RealD normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted odd-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+
+
+    pickCheckerboard(Even, psi_cb_d, psi_d);
+     
+    precisionChange(psi_cb_f, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of even-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
+    precisionChange(psi_cb_d_r, psi_cb_f);
+    normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted even-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+  }
+
+
+
+  Grid_finalize();
+}