Test_evec_compression changes:

Added ability to choose one of a variety of preselected basis sizes from the command line
	Fine lanczos now checks enough evecs are generated and resizes the output to Nstop and not the actual amount that converged (which can be larger)

Grid/DisableWarnings.h

@@ -35,7 +35,7 @@ directory
 #if defined __GNUC__ && __GNUC__>=6
 #pragma GCC diagnostic ignored "-Wignored-attributes"
 #endif
-#if defined __GNUC__ && __GNUC__>=6
+#if defined __GNUC__ 
 #pragma GCC diagnostic ignored "-Wpsabi"
 #endif
 

Grid/algorithms/CoarsenedMatrix.h

@@ -358,7 +358,7 @@ public:
     autoView( in_v , in, AcceleratorRead);
     autoView( out_v , out, AcceleratorWrite);
     autoView( Stencil_v  , Stencil, AcceleratorRead);
-    auto& geom_v = geom;
+    int npoint = geom.npoint;
     typedef LatticeView<Cobj> Aview;
       
     Vector<Aview> AcceleratorViewContainer;
@@ -380,7 +380,7 @@ public:
       int ptype;
       StencilEntry *SE;
 
-      for(int point=0;point<geom_v.npoint;point++){
+      for(int point=0;point<npoint;point++){
 
 	SE=Stencil_v.GetEntry(ptype,point,ss);
 	  
@@ -424,7 +424,7 @@ public:
     autoView( in_v , in, AcceleratorRead);
     autoView( out_v , out, AcceleratorWrite);
     autoView( Stencil_v  , Stencil, AcceleratorRead);
-    auto& geom_v = geom;
+    int npoint = geom.npoint;
     typedef LatticeView<Cobj> Aview;
 
     Vector<Aview> AcceleratorViewContainer;
@@ -454,7 +454,7 @@ public:
       int ptype;
       StencilEntry *SE;
 
-      for(int p=0;p<geom_v.npoint;p++){
+      for(int p=0;p<npoint;p++){
         int point = points_p[p];
 
 	SE=Stencil_v.GetEntry(ptype,point,ss);

Grid/algorithms/LinearOperator.h

@@ -52,6 +52,7 @@ public:
   virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
   virtual void HermOp(const Field &in, Field &out)=0;
+  virtual ~LinearOperatorBase(){};
 };
 
 
@@ -223,14 +224,9 @@ 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){
-    HermOp(in,out);
+    out.Checkerboard() = in.Checkerboard();
+    MpcDagMpc(in,out);
     ComplexD dot= innerProduct(in,out); 
     n1=real(dot);
     n2=norm2(out);
@@ -281,16 +277,6 @@ 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:
@@ -522,7 +508,7 @@ class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
   virtual  void MpcDag   (const Field &in, Field &out){
     Mpc(in,out);
   }
-  virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
+  virtual void MpcDagMpc(const Field &in, Field &out) {
     assert(0);// Never need with staggered
   }
 };
@@ -600,6 +586,7 @@ class HermOpOperatorFunction : public OperatorFunction<Field> {
 template<typename Field>
 class PlainHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   LinearOperatorBase<Field> &_Linop;
       
   PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
@@ -613,6 +600,7 @@ public:
 template<typename Field>
 class FunctionHermOp : public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator(); 
   OperatorFunction<Field>   & _poly;
   LinearOperatorBase<Field> &_Linop;
       

Grid/algorithms/Preconditioner.h

@@ -30,13 +30,19 @@ Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
-template<class Field> class Preconditioner :  public LinearFunction<Field> { 
+template<class Field> using Preconditioner =  LinearFunction<Field> ;
+
+/*
+template<class Field> class Preconditioner :  public LinearFunction<Field> {
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field & psi)=0;
 };
+*/
 
 template<class Field> class TrivialPrecon :  public Preconditioner<Field> { 
 public:
-  void operator()(const Field &src, Field & psi){
+  using Preconditioner<Field>::operator();
+  virtual void operator()(const Field &src, Field & psi){
     psi = src;
   }
   TrivialPrecon(void){};

Grid/algorithms/SparseMatrix.h

@@ -48,6 +48,7 @@ public:
   virtual  void Mdiag    (const Field &in, Field &out)=0;
   virtual  void Mdir     (const Field &in, Field &out,int dir, int disp)=0;
   virtual  void MdirAll  (const Field &in, std::vector<Field> &out)=0;
+  virtual ~SparseMatrixBase() {};
 };
 
 /////////////////////////////////////////////////////////////////////////////////////////////
@@ -72,7 +73,7 @@ public:
   virtual  void MeooeDag    (const Field &in, Field &out)=0;
   virtual  void MooeeDag    (const Field &in, Field &out)=0;
   virtual  void MooeeInvDag (const Field &in, Field &out)=0;
-
+  virtual ~CheckerBoardedSparseMatrixBase() {};
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/BiCGSTABMixedPrec.h

@@ -36,7 +36,8 @@ NAMESPACE_BEGIN(Grid);
 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 MixedPrecisionBiCGSTAB : public LinearFunction<FieldD> 
 {
-  public:                                                
+  public:
+    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; // Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;

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 "<<TrueResidual<< " tol "<< Tolerance<< std::endl;
+      std::cout << GridLogMessage << "ConjugateGradient guess is converged already " << std::endl;
       IterationsToComplete = 0;	
       return;
     }

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -35,7 +35,8 @@ NAMESPACE_BEGIN(Grid);
     typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
     typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
   class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
-  public:                                                
+  public:
+    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;
@@ -52,31 +53,23 @@ NAMESPACE_BEGIN(Grid);
 
     //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(InnerTol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
+      Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
-      OuterLoopNormMult(100.), guesser(NULL){ assert(InnerTol < 1.0e-1);};
+      OuterLoopNormMult(100.), guesser(NULL){ };
 
     void useGuesser(LinearFunction<FieldF> &g){
       guesser = &g;
     }
   
   void operator() (const FieldD &src_d_in, FieldD &sol_d){
+    std::cout << GridLogMessage << "MixedPrecisionConjugateGradient: Starting mixed precision CG with outer tolerance " << Tolerance << " and inner tolerance " << InnerTolerance << std::endl;
     TotalInnerIterations = 0;
 	
     GridStopWatch TotalTimer;
@@ -111,6 +104,7 @@ NAMESPACE_BEGIN(Grid);
     FieldF sol_f(SinglePrecGrid);
     sol_f.Checkerboard() = cb;
     
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
     ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
     CG_f.ErrorOnNoConverge = false;
 
@@ -144,6 +138,7 @@ NAMESPACE_BEGIN(Grid);
 	(*guesser)(src_f, sol_f);
 
       //Inner CG
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " << outer_iter << " starting inner CG with tolerance " << inner_tol << std::endl;
       CG_f.Tolerance = inner_tol;
       InnerCGtimer.Start();
       CG_f(Linop_f, src_f, sol_f);

Grid/algorithms/iterative/Deflation.h

@@ -33,16 +33,19 @@ namespace Grid {
 template<class Field>
 class ZeroGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
     virtual void operator()(const Field &src, Field &guess) { guess = Zero(); };
 };
 template<class Field>
 class DoNothingGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) {  };
 };
 template<class Field>
 class SourceGuesser: public LinearFunction<Field> {
 public:
+  using LinearFunction<Field>::operator();
   virtual void operator()(const Field &src, Field &guess) { guess = src; };
 };
 
@@ -57,6 +60,7 @@ private:
   const unsigned int       N;
 
 public:
+  using LinearFunction<Field>::operator();
 
   DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval)
   : DeflatedGuesser(_evec, _eval, _evec.size())
@@ -87,6 +91,7 @@ private:
   const std::vector<RealD>       &eval_coarse;
 public:
   
+  using LinearFunction<FineField>::operator();
   LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
 				const std::vector<CoarseField> &_evec_coarse,
 				const std::vector<RealD>       &_eval_coarse)

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -44,6 +44,7 @@ public:
 				  int, MinRes);    // Must restart
 };
 
+//This class is the input parameter class for some testing programs
 struct LocalCoherenceLanczosParams : Serializable {
 public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
@@ -67,6 +68,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -97,6 +99,7 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
+  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -153,6 +156,7 @@ public:
       _coarse_relax_tol(coarse_relax_tol)  
   {    };
 
+  //evalMaxApprox: approximation of largest eval of the fine Chebyshev operator (suitably wrapped by block projection)
   int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
     CoarseField v(B);
@@ -179,8 +183,16 @@ public:
     if( (vv<eresid*eresid) ) conv = 1;
     return conv;
   }
-  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+
+  //This function is called at the end of the coarse grid Lanczos. It promotes the coarse eigenvector 'B' to the fine grid,
+  //applies a smoother to the result then computes the computes the *fine grid* eigenvalue (output as 'eval').
+
+  //evalMaxApprox should be the approximation of the largest eval of the fine Hermop. However when this function is called by IRL it actually passes the largest eval of the *Chebyshev* operator (as this is the max approx used for the TestConvergence above)
+  //As the largest eval of the Chebyshev is typically several orders of magnitude larger this makes the convergence test pass even when it should not.
+  //We therefore ignore evalMaxApprox here and use a value of 1.0 (note this value is already used by TestCoarse)
+  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)  
   {
+    evalMaxApprox = 1.0; //cf above
     GridBase *FineGrid = _subspace[0].Grid();    
     int checkerboard   = _subspace[0].Checkerboard();
     FineField fB(FineGrid);fB.Checkerboard() =checkerboard;
@@ -199,13 +211,13 @@ public:
     eval   = vnum/vden;
     fv -= eval*fB;
     RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
-
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
+    
     std::cout.precision(13);
     std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
 	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
-	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv << " target " << eresid*eresid
 	     <<std::endl;
-    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     if( (vv<eresid*eresid) ) return 1;
     return 0;
   }
@@ -283,6 +295,10 @@ public:
     evals_coarse.resize(0);
   };
 
+  //The block inner product is the inner product on the fine grid locally summed over the blocks
+  //to give a Lattice<Scalar> on the coarse grid. This function orthnormalizes the fine-grid subspace
+  //vectors under the block inner product. This step must be performed after computing the fine grid
+  //eigenvectors and before computing the coarse grid eigenvectors.    
   void Orthogonalise(void ) {
     CoarseScalar InnerProd(_CoarseGrid);
     std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
@@ -326,6 +342,8 @@ public:
     }
   }
 
+  //While this method serves to check the coarse eigenvectors, it also recomputes the eigenvalues from the smoothed reconstructed eigenvectors
+  //hence the smoother can be tuned after running the coarse Lanczos by using a different smoother here
   void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
   {
     assert(evals_fine.size() == nbasis);
@@ -374,25 +392,31 @@ public:
     evals_fine.resize(nbasis);
     subspace.resize(nbasis,_FineGrid);
   }
+
+
+  //cheby_op: Parameters of the fine grid Chebyshev polynomial used for the Lanczos acceleration
+  //cheby_smooth: Parameters of a separate Chebyshev polynomial used after the Lanczos has completed to smooth out high frequency noise in the reconstructed fine grid eigenvectors prior to computing the eigenvalue
+  //relax: Reconstructed eigenvectors (post smoothing) are naturally not as precise as true eigenvectors. This factor acts as a multiplier on the stopping condition when determining whether the results satisfy the user provided stopping condition
   void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
 		  int Nstop, int Nk, int Nm,RealD resid, 
 		  RealD MaxIt, RealD betastp, int MinRes)
   {
-    Chebyshev<FineField>                          Cheby(cheby_op);
+    Chebyshev<FineField>                          Cheby(cheby_op); //Chebyshev of fine operator on fine grid
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace); //Fine operator on coarse grid with intermediate fine grid conversion
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace); //Chebyshev of fine operator on coarse grid with intermediate fine grid conversion
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
-    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth); //lower order Chebyshev of fine operator on fine grid used to smooth regenerated eigenvectors
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax); 
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);
 
     CoarseField src(_CoarseGrid);     src=1.0; 
 
+    //Note the "tester" here is also responsible for generating the fine grid eigenvalues which are output into the "evals_coarse" array
     ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
     int Nconv=0;
     IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
@@ -403,6 +427,14 @@ public:
       std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
     }
   }
+
+  //Get the fine eigenvector 'i' by reconstruction
+  void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
+    blockPromote(evec_coarse[i],evec,subspace);  
+    eval = evals_coarse[i];
+  }
+    
+    
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/PowerMethod.h

@@ -29,6 +29,8 @@ template<class Field> class PowerMethod
       RealD vnum = real(innerProduct(src_n,tmp)); // HermOp. 
       RealD vden = norm2(src_n); 
       RealD na = vnum/vden; 
+
+      std::cout << GridLogIterative << "PowerMethod: Current approximation of largest eigenvalue " << na << std::endl;
       
       if ( (fabs(evalMaxApprox/na - 1.0) < 0.001) || (i==_MAX_ITER_EST_-1) ) { 
  	evalMaxApprox = na; 

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

@@ -43,7 +43,7 @@ NAMESPACE_BEGIN(Grid);
 template<class Field>
 class PrecGeneralisedConjugateResidual : public LinearFunction<Field> {
 public:                                                
-
+  using LinearFunction<Field>::operator();
   RealD   Tolerance;
   Integer MaxIterations;
   int verbose;

Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h

@@ -43,7 +43,7 @@ NAMESPACE_BEGIN(Grid);
 template<class Field>
 class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
 public:                                                
-
+  using LinearFunction<Field>::operator();
   RealD   Tolerance;
   Integer MaxIterations;
   int verbose;
@@ -119,7 +119,8 @@ public:
   RealD GCRnStep(const Field &src, Field &psi,RealD rsq){
 
     RealD cp;
-    ComplexD a, b, zAz;
+    ComplexD a, b;
+    //    ComplexD zAz;
     RealD zAAz;
     ComplexD rq;
 
@@ -146,7 +147,7 @@ public:
     //////////////////////////////////
     MatTimer.Start();
     Linop.Op(psi,Az);
-    zAz = innerProduct(Az,psi);
+    //    zAz = innerProduct(Az,psi);
     zAAz= norm2(Az);
     MatTimer.Stop();
     
@@ -170,7 +171,7 @@ public:
 
     LinalgTimer.Start();
 
-    zAz = innerProduct(Az,psi);
+    //    zAz = innerProduct(Az,psi);
     zAAz= norm2(Az);
 
     //p[0],q[0],qq[0] 
@@ -212,7 +213,7 @@ public:
       MatTimer.Start();
       Linop.Op(z,Az);
       MatTimer.Stop();
-      zAz = innerProduct(Az,psi);
+      //      zAz = innerProduct(Az,psi);
       zAAz= norm2(Az);
 
       LinalgTimer.Start();

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^{-dag}= ( 1      -Mee^{-dag} Moe^{dag} )
+   * L^{-d}  = ( 1      -Mee^{-dag} Moe^{dag} )
    *           ( 0       1                    )
    *
    * U^-1 = (1   -Mee^{-1} Meo)
@@ -82,8 +82,7 @@ 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 {
 
@@ -98,7 +97,6 @@ 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
@@ -221,20 +219,13 @@ 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 adjoint "<< this->adjoint() << std::endl;
+	  std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << 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;
 	}
@@ -288,21 +279,12 @@ 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);
 
-	  if ( this->adjoint() ) 
+        std::cout<<GridLogMessage << "SchurRedBlackBase solver true unprec resid "<< std::sqrt(nr/ns) << std::endl;
-	    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;
       }
@@ -311,7 +293,6 @@ 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;
@@ -665,127 +646,6 @@ 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/allocator/MemoryManager.cc

@@ -159,7 +159,6 @@ void MemoryManager::Init(void)
 
   char * str;
   int Nc;
-  int NcS;
   
   str= getenv("GRID_ALLOC_NCACHE_LARGE");
   if ( str ) {

Grid/allocator/MemoryManager.h

@@ -170,6 +170,7 @@ private:
 
  public:
   static void Print(void);
+  static void PrintState( void* CpuPtr);
   static int   isOpen   (void* CpuPtr);
   static void  ViewClose(void* CpuPtr,ViewMode mode);
   static void *ViewOpen (void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint);

Grid/allocator/MemoryManagerCache.cc

@@ -474,6 +474,32 @@ int   MemoryManager::isOpen   (void* _CpuPtr)
   }
 }
 
+void MemoryManager::PrintState(void* _CpuPtr)
+{
+  uint64_t CpuPtr = (uint64_t)_CpuPtr;
+
+  if ( EntryPresent(CpuPtr) ){
+    auto AccCacheIterator = EntryLookup(CpuPtr);
+    auto & AccCache = AccCacheIterator->second;
+    std::string str;
+    if ( AccCache.state==Empty    ) str = std::string("Empty");
+    if ( AccCache.state==CpuDirty ) str = std::string("CpuDirty");
+    if ( AccCache.state==AccDirty ) str = std::string("AccDirty");
+    if ( AccCache.state==Consistent)str = std::string("Consistent");
+    if ( AccCache.state==EvictNext) str = std::string("EvictNext");
+
+    std::cout << GridLogMessage << "CpuAddr\t\tAccAddr\t\tState\t\tcpuLock\taccLock\tLRU_valid "<<std::endl;
+    std::cout << GridLogMessage << "0x"<<std::hex<<AccCache.CpuPtr<<std::dec
+    << "\t0x"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
+    << "\t" << AccCache.cpuLock
+    << "\t" << AccCache.accLock
+    << "\t" << AccCache.LRU_valid<<std::endl;
+
+  } else {
+    std::cout << GridLogMessage << "No Entry in AccCache table." << std::endl; 
+  }
+}
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/allocator/MemoryManagerShared.cc

@@ -16,6 +16,10 @@ uint64_t  MemoryManager::DeviceToHostXfer;
 void  MemoryManager::ViewClose(void* AccPtr,ViewMode mode){};
 void *MemoryManager::ViewOpen(void* CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint){ return CpuPtr; };
 int   MemoryManager::isOpen   (void* CpuPtr) { return 0;}
+void  MemoryManager::PrintState(void* CpuPtr)
+{
+std::cout << GridLogMessage << "Host<->Device memory movement not currently managed by Grid." << std::endl;
+};
 void  MemoryManager::Print(void){};
 void  MemoryManager::NotifyDeletion(void *ptr){};
 

Grid/communicator/Communicator_mpi3.cc

@@ -388,8 +388,8 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
     // TODO : make a OMP loop on CPU, call threaded bcopy
     void *shm = (void *) this->ShmBufferTranslate(dest,recv);
     assert(shm!=NULL);
+    //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
     acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
-    acceleratorCopySynchronise(); // MPI prob slower
   }
 
   if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
@@ -400,6 +400,9 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &list,int dir)
 {
+  //   std::cout << "Copy Synchronised\n"<<std::endl;
+  acceleratorCopySynchronise();
+
   int nreq=list.size();
 
   if (nreq==0) return;

Grid/lattice/Lattice_base.h

@@ -88,6 +88,13 @@ public:
     LatticeView<vobj> accessor(*( (LatticeAccelerator<vobj> *) this),mode);
     accessor.ViewClose();
   }
+
+  // Helper function to print the state of this object in the AccCache
+  void PrintCacheState(void)
+  {
+    MemoryManager::PrintState(this->_odata);
+  }
+
   /////////////////////////////////////////////////////////////////////////////////
   // Return a view object that may be dereferenced in site loops.
   // The view is trivially copy constructible and may be copied to an accelerator device

Grid/lattice/Lattice_crc.h

@@ -29,19 +29,6 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 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);

Grid/lattice/Lattice_reduction_gpu.h

@@ -42,7 +42,6 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   std::cout << GridLogDebug << "\twarpSize            = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tsharedMemPerBlock   = " << sharedMemPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << maxThreadsPerBlock << std::endl;
-  std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tmultiProcessorCount = " << multiProcessorCount << std::endl;
   
   if (warpSize != WARP_SIZE) {
@@ -52,6 +51,10 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   
   // let the number of threads in a block be a multiple of 2, starting from warpSize
   threads = warpSize;
+  if ( threads*sizeofsobj > sharedMemPerBlock ) {
+    std::cout << GridLogError << "The object is too large for the shared memory." << std::endl;
+    exit(EXIT_FAILURE);
+  }
   while( 2*threads*sizeofsobj < sharedMemPerBlock && 2*threads <= maxThreadsPerBlock ) threads *= 2;
   // keep all the streaming multiprocessors busy
   blocks = nextPow2(multiProcessorCount);

Grid/lattice/Lattice_rng.h

@@ -143,8 +143,8 @@ public:
 
   std::vector<RngEngine>                             _generators;
   std::vector<std::uniform_real_distribution<RealD> > _uniform;
-  std::vector<Grid::gaussian_distribution<RealD> >    _gaussian;
+  std::vector<Grid::gaussian_distribution<RealD> >       _gaussian;
-  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
+  //  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
   std::vector<std::uniform_int_distribution<uint32_t> > _uid;
 
   ///////////////////////
@@ -245,7 +245,7 @@ public:
     _generators.resize(1);
     _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
     _gaussian.resize(1,gaussian_distribution<RealD>(0.0,1.0) );
-    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
+    //    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -359,7 +359,7 @@ public:
     _generators.resize(_vol);
     _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
     _gaussian.resize(_vol,gaussian_distribution<RealD>(0.0,1.0) );
-    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
+    //    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -516,11 +516,11 @@ public:
 
 template <class vobj> inline void random(GridParallelRNG &rng,Lattice<vobj> &l)   { rng.fill(l,rng._uniform);  }
 template <class vobj> inline void gaussian(GridParallelRNG &rng,Lattice<vobj> &l) { rng.fill(l,rng._gaussian); }
-template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
+//template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
 
 template <class sobj> inline void random(GridSerialRNG &rng,sobj &l)   { rng.fill(l,rng._uniform  ); }
 template <class sobj> inline void gaussian(GridSerialRNG &rng,sobj &l) { rng.fill(l,rng._gaussian ); }
-template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
+//template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
 
 NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_transfer.h

@@ -85,6 +85,76 @@ template<class vobj> inline void setCheckerboard(Lattice<vobj> &full,const Latti
   });
 }
 
+template<class vobj> inline void acceleratorPickCheckerboard(int cb,Lattice<vobj> &half,const Lattice<vobj> &full, int checker_dim_half=0)
+{
+  half.Checkerboard() = cb;
+  autoView(half_v, half, AcceleratorWrite);
+  autoView(full_v, full, AcceleratorRead);
+  Coordinate rdim_full             = full.Grid()->_rdimensions;
+  Coordinate rdim_half             = half.Grid()->_rdimensions;
+  unsigned long ndim_half          = half.Grid()->_ndimension;
+  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
+  Coordinate ostride_half          = half.Grid()->_ostride;
+  accelerator_for(ss, full.Grid()->oSites(),full.Grid()->Nsimd(),{
+    
+    Coordinate coor;
+    int cbos;
+    int linear=0;
+
+    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
+    assert(coor.size()==ndim_half);
+
+    for(int d=0;d<ndim_half;d++){ 
+      if(checker_dim_mask_half[d]) linear += coor[d];
+    }
+    cbos = (linear&0x1);
+
+    if (cbos==cb) {
+      int ssh=0;
+      for(int d=0;d<ndim_half;d++) {
+        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
+        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
+      }
+      coalescedWrite(half_v[ssh],full_v(ss));
+    }
+  });
+}
+template<class vobj> inline void acceleratorSetCheckerboard(Lattice<vobj> &full,const Lattice<vobj> &half, int checker_dim_half=0)
+{
+  int cb = half.Checkerboard();
+  autoView(half_v , half, AcceleratorRead);
+  autoView(full_v , full, AcceleratorWrite);
+  Coordinate rdim_full             = full.Grid()->_rdimensions;
+  Coordinate rdim_half             = half.Grid()->_rdimensions;
+  unsigned long ndim_half          = half.Grid()->_ndimension;
+  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
+  Coordinate ostride_half          = half.Grid()->_ostride;
+  accelerator_for(ss,full.Grid()->oSites(),full.Grid()->Nsimd(),{
+
+    Coordinate coor;
+    int cbos;
+    int linear=0;
+  
+    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
+    assert(coor.size()==ndim_half);
+
+    for(int d=0;d<ndim_half;d++){ 
+      if(checker_dim_mask_half[d]) linear += coor[d];
+    }
+    cbos = (linear&0x1);
+
+    if (cbos==cb) {
+      int ssh=0;
+      for(int d=0;d<ndim_half;d++){
+        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
+        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
+      }
+      coalescedWrite(full_v[ss],half_v(ssh));
+    }
+
+  });
+}
+
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Flexible Type Conversion for internal promotion to double as well as graceful
 // treatment of scalar-compatible types

Grid/parallelIO/IldgIO.h

@@ -576,6 +576,8 @@ class ScidacReader : public GridLimeReader {
     std::string rec_name(ILDG_BINARY_DATA);
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
       if ( !strncmp(limeReaderType(LimeR), rec_name.c_str(),strlen(rec_name.c_str()) )  ) {
+  // in principle should do the line below, but that breaks backard compatibility with old data
+  // skipPastObjectRecord(std::string(GRID_FIELD_NORM));
 	skipPastObjectRecord(std::string(SCIDAC_CHECKSUM));
 	return;
       }

Grid/qcd/QCD.h

@@ -104,7 +104,6 @@ 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> > >;
@@ -164,16 +163,7 @@ typedef iSpinColourSpinColourMatrix<vComplex >    vSpinColourSpinColourMatrix;
 typedef iSpinColourSpinColourMatrix<vComplexF>    vSpinColourSpinColourMatrixF;
 typedef iSpinColourSpinColourMatrix<vComplexD>    vSpinColourSpinColourMatrixD;
 
-// LorentzVector
+// LorentzColour
-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;
@@ -298,10 +288,6 @@ 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

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

Grid/qcd/action/ActionBase.h

@@ -40,29 +40,6 @@ 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

@@ -58,8 +58,6 @@ 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

@@ -38,32 +38,27 @@ NAMESPACE_BEGIN(Grid);
 struct GparityWilsonImplParams {
   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. 
                      //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) {};
-  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 {
-  bool locally_periodic;
+  StaggeredImplParams()  {};
-  StaggeredImplParams() : locally_periodic(false) {};
 };
   
-struct OneFlavourRationalParams : Serializable {
+  struct OneFlavourRationalParams : Serializable {
     GRID_SERIALIZABLE_CLASS_MEMBERS(OneFlavourRationalParams, 
 				    RealD, lo, 
 				    RealD, hi, 
@@ -71,7 +66,8 @@ struct OneFlavourRationalParams : Serializable {
 				    RealD, tolerance, 
 				    int,   degree, 
 				    int,   precision,
-				    int,   BoundsCheckFreq);
+				    int,   BoundsCheckFreq,
+				    RealD, BoundsCheckTol);
     
   // MaxIter and tolerance, vectors??
     
@@ -82,14 +78,16 @@ struct OneFlavourRationalParams : Serializable {
 				RealD tol      = 1.0e-8, 
                            	int _degree    = 10,
 				int _precision = 64,
-				int _BoundsCheckFreq=20)
+				int _BoundsCheckFreq=20,
+				double _BoundsCheckTol=1e-6)
       : lo(_lo),
 	hi(_hi),
 	MaxIter(_maxit),
 	tolerance(tol),
 	degree(_degree),
         precision(_precision),
-        BoundsCheckFreq(_BoundsCheckFreq){};
+        BoundsCheckFreq(_BoundsCheckFreq),
+        BoundsCheckTol(_BoundsCheckTol){};
   };
 
 

Grid/qcd/action/domains/DDHMCFilter.h

@@ -1,52 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,98 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,187 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,39 +0,0 @@
-/*************************************************************************************
-
-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/fermion/CayleyFermion5D.h

@@ -60,8 +60,6 @@ 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/CompactWilsonCloverFermion.h

@@ -0,0 +1,240 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermion.h
+
+    Copyright (C) 2020 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+    Author: Nils Meyer <nils.meyer@ur.de>
+
+    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/action/fermion/WilsonCloverTypes.h>
+#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
+
+NAMESPACE_BEGIN(Grid);
+
+// see Grid/qcd/action/fermion/WilsonCloverFermion.h for description
+//
+// Modifications done here:
+//
+// Original: clover term = 12x12 matrix per site
+//
+// But: Only two diagonal 6x6 hermitian blocks are non-zero (also true for original, verified by running)
+// Sufficient to store/transfer only the real parts of the diagonal and one triangular part
+// 2 * (6 + 15 * 2) = 72 real or 36 complex words to be stored/transfered
+//
+// Here: Above but diagonal as complex numbers, i.e., need to store/transfer
+// 2 * (6 * 2 + 15 * 2) = 84 real or 42 complex words
+//
+// Words per site and improvement compared to original (combined with the input and output spinors):
+//
+// - Original: 2*12 + 12*12 = 168 words -> 1.00 x less
+// - Minimal:  2*12 + 36    =  60 words -> 2.80 x less
+// - Here:     2*12 + 42    =  66 words -> 2.55 x less
+//
+// These improvements directly translate to wall-clock time
+//
+// Data layout:
+//
+// - diagonal and triangle part as separate lattice fields,
+//   this was faster than as 1 combined field on all tested machines
+// - diagonal: as expected
+// - triangle: store upper right triangle in row major order
+// - graphical:
+//        0  1  2  3  4
+//           5  6  7  8
+//              9 10 11 = upper right triangle indices
+//                12 13
+//                   14
+//     0
+//        1
+//           2
+//              3       = diagonal indices
+//                 4
+//                    5
+//     0
+//     1  5
+//     2  6  9          = lower left triangle indices
+//     3  7 10 12
+//     4  8 11 13 14
+//
+// Impact on total memory consumption:
+// - Original: (2 * 1 + 8 * 1/2) 12x12 matrices = 6 12x12 matrices = 864 complex words per site
+// - Here:     (2 * 1 + 4 * 1/2) diagonal parts = 4 diagonal parts =  24 complex words per site
+//           + (2 * 1 + 4 * 1/2) triangle parts = 4 triangle parts =  60 complex words per site
+//                                                                 =  84 complex words per site
+
+template<class Impl>
+class CompactWilsonCloverFermion : public WilsonFermion<Impl>,
+                                   public WilsonCloverHelpers<Impl>,
+                                   public CompactWilsonCloverHelpers<Impl> {
+  /////////////////////////////////////////////
+  // Sizes
+  /////////////////////////////////////////////
+
+public:
+
+  INHERIT_COMPACT_CLOVER_SIZES(Impl);
+
+  /////////////////////////////////////////////
+  // Type definitions
+  /////////////////////////////////////////////
+
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  typedef WilsonFermion<Impl>              WilsonBase;
+  typedef WilsonCloverHelpers<Impl>        Helpers;
+  typedef CompactWilsonCloverHelpers<Impl> CompactHelpers;
+
+  /////////////////////////////////////////////
+  // Constructors
+  /////////////////////////////////////////////
+
+public:
+
+  CompactWilsonCloverFermion(GaugeField& _Umu,
+			    GridCartesian& Fgrid,
+			    GridRedBlackCartesian& Hgrid,
+			    const RealD _mass,
+			    const RealD _csw_r = 0.0,
+			    const RealD _csw_t = 0.0,
+			    const RealD _cF = 1.0,
+			    const WilsonAnisotropyCoefficients& clover_anisotropy = WilsonAnisotropyCoefficients(),
+			    const ImplParams& impl_p = ImplParams());
+
+  /////////////////////////////////////////////
+  // Member functions (implementing interface)
+  /////////////////////////////////////////////
+
+public:
+
+  virtual void Instantiatable() {};
+  int          ConstEE()     override { return 0; };
+  int          isTrivialEE() override { return 0; };
+
+  void Dhop(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopOE(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopEO(const FermionField& in, FermionField& out, int dag) override;
+
+  void DhopDir(const FermionField& in, FermionField& out, int dir, int disp) override;
+
+  void DhopDirAll(const FermionField& in, std::vector<FermionField>& out) /* override */;
+
+  void M(const FermionField& in, FermionField& out) override;
+
+  void Mdag(const FermionField& in, FermionField& out) override;
+
+  void Meooe(const FermionField& in, FermionField& out) override;
+
+  void MeooeDag(const FermionField& in, FermionField& out) override;
+
+  void Mooee(const FermionField& in, FermionField& out) override;
+
+  void MooeeDag(const FermionField& in, FermionField& out) override;
+
+  void MooeeInv(const FermionField& in, FermionField& out) override;
+
+  void MooeeInvDag(const FermionField& in, FermionField& out) override;
+
+  void Mdir(const FermionField& in, FermionField& out, int dir, int disp) override;
+
+  void MdirAll(const FermionField& in, std::vector<FermionField>& out) override;
+
+  void MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) override;
+
+  void MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
+
+  void MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
+
+  /////////////////////////////////////////////
+  // Member functions (internals)
+  /////////////////////////////////////////////
+
+  void MooeeInternal(const FermionField&        in,
+                     FermionField&              out,
+                     const CloverDiagonalField& diagonal,
+                     const CloverTriangleField& triangle);
+
+  /////////////////////////////////////////////
+  // Helpers
+  /////////////////////////////////////////////
+
+  void ImportGauge(const GaugeField& _Umu) override;
+
+  /////////////////////////////////////////////
+  // Helpers
+  /////////////////////////////////////////////
+
+private:
+
+  template<class Field>
+  const MaskField* getCorrectMaskField(const Field &in) const {
+    if(in.Grid()->_isCheckerBoarded) {
+      if(in.Checkerboard() == Odd) {
+        return &this->BoundaryMaskOdd;
+      } else {
+        return &this->BoundaryMaskEven;
+      }
+    } else {
+      return &this->BoundaryMask;
+    }
+  }
+
+  template<class Field>
+  void ApplyBoundaryMask(Field& f) {
+    const MaskField* m = getCorrectMaskField(f); assert(m != nullptr);
+    assert(m != nullptr);
+    CompactHelpers::ApplyBoundaryMask(f, *m);
+  }
+
+  /////////////////////////////////////////////
+  // Member Data
+  /////////////////////////////////////////////
+
+public:
+
+  RealD csw_r;
+  RealD csw_t;
+  RealD cF;
+
+  bool open_boundaries;
+
+  CloverDiagonalField Diagonal,    DiagonalEven,    DiagonalOdd;
+  CloverDiagonalField DiagonalInv, DiagonalInvEven, DiagonalInvOdd;
+
+  CloverTriangleField Triangle,    TriangleEven,    TriangleOdd;
+  CloverTriangleField TriangleInv, TriangleInvEven, TriangleInvOdd;
+
+  FermionField Tmp;
+
+  MaskField BoundaryMask, BoundaryMaskEven, BoundaryMaskOdd;
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/DirichletFermionOperator.h

@@ -1,185 +0,0 @@
-/*************************************************************************************
-
-    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

@@ -53,6 +53,7 @@ NAMESPACE_CHECK(Wilson);
 #include <Grid/qcd/action/fermion/WilsonTMFermion.h>       // 4d wilson like
 NAMESPACE_CHECK(WilsonTM);
 #include <Grid/qcd/action/fermion/WilsonCloverFermion.h> // 4d wilson clover fermions
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h> // 4d compact wilson clover fermions
 NAMESPACE_CHECK(WilsonClover);
 #include <Grid/qcd/action/fermion/WilsonFermion5D.h>     // 5d base used by all 5d overlap types
 NAMESPACE_CHECK(Wilson5D);
@@ -101,12 +102,6 @@ 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);
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -159,6 +154,23 @@ typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplR> WilsonCloverTwoInd
 typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplF> WilsonCloverTwoIndexAntiSymmetricFermionF;
 typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiSymmetricFermionD;
 
+// Compact Clover fermions
+typedef CompactWilsonCloverFermion<WilsonImplR> CompactWilsonCloverFermionR;
+typedef CompactWilsonCloverFermion<WilsonImplF> CompactWilsonCloverFermionF;
+typedef CompactWilsonCloverFermion<WilsonImplD> CompactWilsonCloverFermionD;
+
+typedef CompactWilsonCloverFermion<WilsonAdjImplR> CompactWilsonCloverAdjFermionR;
+typedef CompactWilsonCloverFermion<WilsonAdjImplF> CompactWilsonCloverAdjFermionF;
+typedef CompactWilsonCloverFermion<WilsonAdjImplD> CompactWilsonCloverAdjFermionD;
+
+typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplR> CompactWilsonCloverTwoIndexSymmetricFermionR;
+typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplF> CompactWilsonCloverTwoIndexSymmetricFermionF;
+typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplD> CompactWilsonCloverTwoIndexSymmetricFermionD;
+
+typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplR> CompactWilsonCloverTwoIndexAntiSymmetricFermionR;
+typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplF> CompactWilsonCloverTwoIndexAntiSymmetricFermionF;
+typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplD> CompactWilsonCloverTwoIndexAntiSymmetricFermionD;
+
 // Domain Wall fermions
 typedef DomainWallFermion<WilsonImplR> DomainWallFermionR;
 typedef DomainWallFermion<WilsonImplF> DomainWallFermionF;

Grid/qcd/action/fermion/FermionCore.h

@@ -25,7 +25,8 @@ Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#pragma once
+#ifndef  GRID_QCD_FERMION_CORE_H
+#define  GRID_QCD_FERMION_CORE_H
 
 #include <Grid/GridCore.h>
 #include <Grid/GridQCDcore.h>
@@ -44,3 +45,4 @@ 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

@@ -140,9 +140,6 @@ 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.
@@ -174,16 +171,6 @@ 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/ImprovedStaggeredFermion.h

@@ -141,11 +141,8 @@ 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);
-  virtual DoubledGaugeField &GetDoubledGaugeField(void)  override { return Umu; };
+  DoubledGaugeField &GetU(void)   { return Umu ; } ;
-  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
+  DoubledGaugeField &GetUUU(void) { return UUUmu; };
-  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

@@ -160,20 +160,17 @@ 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
-  virtual DoubledGaugeField &GetDoubledGaugeField(void)  override { return Umu; };
+    DoubledGaugeField &GetU(void)   { return Umu ; } ;
-  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
+    DoubledGaugeField &GetUUU(void) { return UUUmu; };
-  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void) override { return UmuOdd; };
+    void CopyGaugeCheckerboards(void);
-  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

@@ -135,9 +135,6 @@ 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

@@ -1,534 +0,0 @@
-/*************************************************************************************
-
-    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/WilsonCloverFermion.h

@@ -4,10 +4,11 @@
 
     Source file: ./lib/qcd/action/fermion/WilsonCloverFermion.h
 
-    Copyright (C) 2017
+    Copyright (C) 2017 - 2022
 
     Author: Guido Cossu <guido.cossu@ed.ac.uk>
     Author: David Preti <>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
 
     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
@@ -29,7 +30,8 @@
 
 #pragma once
 
-#include <Grid/Grid.h>
+#include <Grid/qcd/action/fermion/WilsonCloverTypes.h>
+#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
 
 NAMESPACE_BEGIN(Grid);
 
@@ -50,18 +52,15 @@ NAMESPACE_BEGIN(Grid);
 //////////////////////////////////////////////////////////////////
 
 template <class Impl>
-class WilsonCloverFermion : public WilsonFermion<Impl>
+class WilsonCloverFermion : public WilsonFermion<Impl>,
+                            public WilsonCloverHelpers<Impl>
 {
 public:
-  // Types definitions
   INHERIT_IMPL_TYPES(Impl);
-  template <typename vtype>
+  INHERIT_CLOVER_TYPES(Impl);
-  using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
-  typedef iImplClover<Simd> SiteCloverType;
-  typedef Lattice<SiteCloverType> CloverFieldType;
 
-public:
+  typedef WilsonFermion<Impl>       WilsonBase;
-  typedef WilsonFermion<Impl> WilsonBase;
+  typedef WilsonCloverHelpers<Impl> Helpers;
 
   virtual int    ConstEE(void)     { return 0; };
   virtual void Instantiatable(void){};
@@ -72,42 +71,7 @@ public:
                       const RealD _csw_r = 0.0,
                       const RealD _csw_t = 0.0,
                       const WilsonAnisotropyCoefficients &clover_anisotropy = WilsonAnisotropyCoefficients(),
-                      const ImplParams &impl_p = ImplParams()) : WilsonFermion<Impl>(_Umu,
+                      const ImplParams &impl_p = ImplParams());
-                                                                                     Fgrid,
-                                                                                     Hgrid,
-                                                                                     _mass, impl_p, clover_anisotropy),
-                                                                 CloverTerm(&Fgrid),
-                                                                 CloverTermInv(&Fgrid),
-                                                                 CloverTermEven(&Hgrid),
-                                                                 CloverTermOdd(&Hgrid),
-                                                                 CloverTermInvEven(&Hgrid),
-                                                                 CloverTermInvOdd(&Hgrid),
-                                                                 CloverTermDagEven(&Hgrid),
-                                                                 CloverTermDagOdd(&Hgrid),
-                                                                 CloverTermInvDagEven(&Hgrid),
-                                                                 CloverTermInvDagOdd(&Hgrid)
-  {
-    assert(Nd == 4); // require 4 dimensions
-
-    if (clover_anisotropy.isAnisotropic)
-    {
-      csw_r = _csw_r * 0.5 / clover_anisotropy.xi_0;
-      diag_mass = _mass + 1.0 + (Nd - 1) * (clover_anisotropy.nu / clover_anisotropy.xi_0);
-    }
-    else
-    {
-      csw_r = _csw_r * 0.5;
-      diag_mass = 4.0 + _mass;
-    }
-    csw_t = _csw_t * 0.5;
-
-    if (csw_r == 0)
-      std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_r = 0" << std::endl;
-    if (csw_t == 0)
-      std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_t = 0" << std::endl;
-
-    ImportGauge(_Umu);
-  }
 
   virtual void M(const FermionField &in, FermionField &out);
   virtual void Mdag(const FermionField &in, FermionField &out);
@@ -124,250 +88,21 @@ public:
   void ImportGauge(const GaugeField &_Umu);
 
   // Derivative parts unpreconditioned pseudofermions
-  void MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag)
+  void MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag);
-  {
-    conformable(X.Grid(), Y.Grid());
-    conformable(X.Grid(), force.Grid());
-    GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
-    GaugeField clover_force(force.Grid());
-    PropagatorField Lambda(force.Grid());
 
-    // Guido: Here we are hitting some performance issues:
+public:
-    // need to extract the components of the DoubledGaugeField
-    // for each call
-    // Possible solution
-    // Create a vector object to store them? (cons: wasting space)
-    std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
-
-    Impl::extractLinkField(U, this->Umu);
-
-    force = Zero();
-    // Derivative of the Wilson hopping term
-    this->DhopDeriv(force, X, Y, dag);
-
-    ///////////////////////////////////////////////////////////
-    // Clover term derivative
-    ///////////////////////////////////////////////////////////
-    Impl::outerProductImpl(Lambda, X, Y);
-    //std::cout << "Lambda:" << Lambda << std::endl;
-
-    Gamma::Algebra sigma[] = {
-        Gamma::Algebra::SigmaXY,
-        Gamma::Algebra::SigmaXZ,
-        Gamma::Algebra::SigmaXT,
-        Gamma::Algebra::MinusSigmaXY,
-        Gamma::Algebra::SigmaYZ,
-        Gamma::Algebra::SigmaYT,
-        Gamma::Algebra::MinusSigmaXZ,
-        Gamma::Algebra::MinusSigmaYZ,
-        Gamma::Algebra::SigmaZT,
-        Gamma::Algebra::MinusSigmaXT,
-        Gamma::Algebra::MinusSigmaYT,
-        Gamma::Algebra::MinusSigmaZT};
-
-    /*
-      sigma_{\mu \nu}=
-      | 0         sigma[0]  sigma[1]  sigma[2] |
-      | sigma[3]    0       sigma[4]  sigma[5] |
-      | sigma[6]  sigma[7]     0      sigma[8] |
-      | sigma[9]  sigma[10] sigma[11]   0      |
-    */
-
-    int count = 0;
-    clover_force = Zero();
-    for (int mu = 0; mu < 4; mu++)
-    {
-      force_mu = Zero();
-      for (int nu = 0; nu < 4; nu++)
-      {
-        if (mu == nu)
-        continue;
-        
-        RealD factor;
-        if (nu == 4 || mu == 4)
-        {
-          factor = 2.0 * csw_t;
-        }
-        else
-        {
-          factor = 2.0 * csw_r;
-        }
-        PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
-        Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
-        force_mu -= factor*Cmunu(U, lambda, mu, nu);                   // checked
-        count++;
-      }
-
-      pokeLorentz(clover_force, U[mu] * force_mu, mu);
-    }
-    //clover_force *= csw;
-    force += clover_force;
-  }
-
-  // Computing C_{\mu \nu}(x) as in Eq.(B.39) in Zbigniew Sroczynski's PhD thesis
-  GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu)
-  {
-    conformable(lambda.Grid(), U[0].Grid());
-    GaugeLinkField out(lambda.Grid()), tmp(lambda.Grid());
-    // insertion in upper staple
-    // please check redundancy of shift operations
-
-    // C1+
-    tmp = lambda * U[nu];
-    out = Impl::ShiftStaple(Impl::CovShiftForward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C2+
-    tmp = U[mu] * Impl::ShiftStaple(adj(lambda), mu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(tmp, mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C3+
-    tmp = U[nu] * Impl::ShiftStaple(adj(lambda), nu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(tmp, nu))), mu);
-
-    // C4+
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu) * lambda;
-
-    // insertion in lower staple
-    // C1-
-    out -= Impl::ShiftStaple(lambda, mu) * Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C2-
-    tmp = adj(lambda) * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C3-
-    tmp = lambda * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, tmp)), mu);
-
-    // C4-
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu) * lambda;
-
-    return out;
-  }
-
-protected:
   // here fixing the 4 dimensions, make it more general?
 
   RealD csw_r;                                               // Clover coefficient - spatial
   RealD csw_t;                                               // Clover coefficient - temporal
   RealD diag_mass;                                           // Mass term
-  CloverFieldType CloverTerm, CloverTermInv;                 // Clover term
+  CloverField CloverTerm, CloverTermInv;                     // Clover term
-  CloverFieldType CloverTermEven, CloverTermOdd;             // Clover term EO
+  CloverField CloverTermEven, CloverTermOdd;                 // Clover term EO
-  CloverFieldType CloverTermInvEven, CloverTermInvOdd;       // Clover term Inv EO
+  CloverField CloverTermInvEven, CloverTermInvOdd;           // Clover term Inv EO
-  CloverFieldType CloverTermDagEven, CloverTermDagOdd;       // Clover term Dag EO
+  CloverField CloverTermDagEven, CloverTermDagOdd;           // Clover term Dag EO
-  CloverFieldType CloverTermInvDagEven, CloverTermInvDagOdd; // Clover term Inv Dag EO
+  CloverField CloverTermInvDagEven, CloverTermInvDagOdd;     // Clover term Inv Dag EO
-
- public:
-  // eventually these can be compressed into 6x6 blocks instead of the 12x12
-  // using the DeGrand-Rossi basis for the gamma matrices
-  CloverFieldType fillCloverYZ(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = timesMinusI(F_v[i]()());
-      T_v[i]()(1, 0) = timesMinusI(F_v[i]()());
-      T_v[i]()(2, 3) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 2) = timesMinusI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXZ(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    
-    autoView(T_v, T,AcceleratorWrite);
-    autoView(F_v, F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = -F_v[i]()();
-      T_v[i]()(1, 0) = F_v[i]()();
-      T_v[i]()(2, 3) = -F_v[i]()();
-      T_v[i]()(3, 2) = F_v[i]()();
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXY(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 0) = timesMinusI(F_v[i]()());
-      T_v[i]()(1, 1) = timesI(F_v[i]()());
-      T_v[i]()(2, 2) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 3) = timesI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverXT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-
-    autoView( T_v , T, AcceleratorWrite);
-    autoView( F_v , F, AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = timesI(F_v[i]()());
-      T_v[i]()(1, 0) = timesI(F_v[i]()());
-      T_v[i]()(2, 3) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 2) = timesMinusI(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverYT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-    T = Zero();
-    
-    autoView( T_v ,T,AcceleratorWrite);
-    autoView( F_v ,F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 1) = -(F_v[i]()());
-      T_v[i]()(1, 0) = (F_v[i]()());
-      T_v[i]()(2, 3) = (F_v[i]()());
-      T_v[i]()(3, 2) = -(F_v[i]()());
-    });
-
-    return T;
-  }
-
-  CloverFieldType fillCloverZT(const GaugeLinkField &F)
-  {
-    CloverFieldType T(F.Grid());
-
-    T = Zero();
-
-    autoView( T_v , T,AcceleratorWrite);
-    autoView( F_v , F,AcceleratorRead);
-    accelerator_for(i, CloverTerm.Grid()->oSites(),1,
-    {
-      T_v[i]()(0, 0) = timesI(F_v[i]()());
-      T_v[i]()(1, 1) = timesMinusI(F_v[i]()());
-      T_v[i]()(2, 2) = timesMinusI(F_v[i]()());
-      T_v[i]()(3, 3) = timesI(F_v[i]()());
-    });
-
-    return T;
-  }
 };
+
 NAMESPACE_END(Grid);
 
 

Grid/qcd/action/fermion/WilsonCloverHelpers.h

@@ -0,0 +1,761 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/WilsonCloverHelpers.h
+
+    Copyright (C) 2021 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    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
+
+// Helper routines that implement common clover functionality
+
+NAMESPACE_BEGIN(Grid);
+
+template<class Impl> class WilsonCloverHelpers {
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+
+  // Computing C_{\mu \nu}(x) as in Eq.(B.39) in Zbigniew Sroczynski's PhD thesis
+  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu)
+  {
+    conformable(lambda.Grid(), U[0].Grid());
+    GaugeLinkField out(lambda.Grid()), tmp(lambda.Grid());
+    // insertion in upper staple
+    // please check redundancy of shift operations
+
+    // C1+
+    tmp = lambda * U[nu];
+    out = Impl::ShiftStaple(Impl::CovShiftForward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
+
+    // C2+
+    tmp = U[mu] * Impl::ShiftStaple(adj(lambda), mu);
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(tmp, mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
+
+    // C3+
+    tmp = U[nu] * Impl::ShiftStaple(adj(lambda), nu);
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(tmp, nu))), mu);
+
+    // C4+
+    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu) * lambda;
+
+    // insertion in lower staple
+    // C1-
+    out -= Impl::ShiftStaple(lambda, mu) * Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
+
+    // C2-
+    tmp = adj(lambda) * U[nu];
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
+
+    // C3-
+    tmp = lambda * U[nu];
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, tmp)), mu);
+
+    // C4-
+    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu) * lambda;
+
+    return out;
+  }
+
+  static CloverField fillCloverYZ(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    autoView(T_v,T,AcceleratorWrite);
+    autoView(F_v,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXZ(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    
+    autoView(T_v, T,AcceleratorWrite);
+    autoView(F_v, F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-F_v[i]()()));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(F_v[i]()()));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(-F_v[i]()()));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(F_v[i]()()));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXY(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+
+    autoView(T_v,T,AcceleratorWrite);
+    autoView(F_v,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverXT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+
+    autoView( T_v , T, AcceleratorWrite);
+    autoView( F_v , F, AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverYT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+    T = Zero();
+    
+    autoView( T_v ,T,AcceleratorWrite);
+    autoView( F_v ,F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 0), coalescedRead((F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 3), coalescedRead((F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 2), coalescedRead(-(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  static CloverField fillCloverZT(const GaugeLinkField &F)
+  {
+    CloverField T(F.Grid());
+
+    T = Zero();
+
+    autoView( T_v , T,AcceleratorWrite);
+    autoView( F_v , F,AcceleratorRead);
+    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
+    {
+      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
+      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
+    });
+
+    return T;
+  }
+
+  template<class _Spinor>
+  static accelerator_inline void multClover(_Spinor& phi, const SiteClover& C, const _Spinor& chi) {
+    auto CC = coalescedRead(C);
+    mult(&phi, &CC, &chi);
+  }
+
+  template<class _SpinorField>
+  inline void multCloverField(_SpinorField& out, const CloverField& C, const _SpinorField& phi) {
+    const int Nsimd = SiteSpinor::Nsimd();
+    autoView(out_v, out, AcceleratorWrite);
+    autoView(phi_v, phi, AcceleratorRead);
+    autoView(C_v,   C,   AcceleratorRead);
+    typedef decltype(coalescedRead(out_v[0])) calcSpinor;
+    accelerator_for(sss,out.Grid()->oSites(),Nsimd,{
+      calcSpinor tmp;
+      multClover(tmp,C_v[sss],phi_v(sss));
+      coalescedWrite(out_v[sss],tmp);
+    });
+  }
+};
+
+
+template<class Impl> class CompactWilsonCloverHelpers {
+public:
+
+  INHERIT_COMPACT_CLOVER_SIZES(Impl);
+
+  INHERIT_IMPL_TYPES(Impl);
+  INHERIT_CLOVER_TYPES(Impl);
+  INHERIT_COMPACT_CLOVER_TYPES(Impl);
+
+  #if 0
+  static accelerator_inline typename SiteCloverTriangle::vector_type triangle_elem(const SiteCloverTriangle& triangle, int block, int i, int j) {
+    assert(i != j);
+    if(i < j) {
+      return triangle()(block)(triangle_index(i, j));
+    } else { // i > j
+      return conjugate(triangle()(block)(triangle_index(i, j)));
+    }
+  }
+  #else
+  template<typename vobj>
+  static accelerator_inline vobj triangle_elem(const iImplCloverTriangle<vobj>& triangle, int block, int i, int j) {
+    assert(i != j);
+    if(i < j) {
+      return triangle()(block)(triangle_index(i, j));
+    } else { // i > j
+      return conjugate(triangle()(block)(triangle_index(i, j)));
+    }
+  }
+  #endif
+
+  static accelerator_inline int triangle_index(int i, int j) {
+    if(i == j)
+      return 0;
+    else if(i < j)
+      return Nred * (Nred - 1) / 2 - (Nred - i) * (Nred - i - 1) / 2 + j - i - 1;
+    else // i > j
+      return Nred * (Nred - 1) / 2 - (Nred - j) * (Nred - j - 1) / 2 + i - j - 1;
+  }
+
+  static void MooeeKernel_gpu(int                        Nsite,
+                              int                        Ls,
+                              const FermionField&        in,
+                              FermionField&              out,
+                              const CloverDiagonalField& diagonal,
+                              const CloverTriangleField& triangle) {
+    autoView(diagonal_v, diagonal, AcceleratorRead);
+    autoView(triangle_v, triangle, AcceleratorRead);
+    autoView(in_v,       in,       AcceleratorRead);
+    autoView(out_v,      out,      AcceleratorWrite);
+
+    typedef decltype(coalescedRead(out_v[0])) CalcSpinor;
+
+    const uint64_t NN = Nsite * Ls;
+
+    accelerator_for(ss, NN, Simd::Nsimd(), {
+      int sF = ss;
+      int sU = ss/Ls;
+      CalcSpinor res;
+      CalcSpinor in_t = in_v(sF);
+      auto diagonal_t = diagonal_v(sU);
+      auto triangle_t = triangle_v(sU);
+      for(int block=0; block<Nhs; block++) {
+        int s_start = block*Nhs;
+        for(int i=0; i<Nred; i++) {
+          int si = s_start + i/Nc, ci = i%Nc;
+          res()(si)(ci) = diagonal_t()(block)(i) * in_t()(si)(ci);
+          for(int j=0; j<Nred; j++) {
+            if (j == i) continue;
+            int sj = s_start + j/Nc, cj = j%Nc;
+            res()(si)(ci) = res()(si)(ci) + triangle_elem(triangle_t, block, i, j) * in_t()(sj)(cj);
+          };
+        };
+      };
+      coalescedWrite(out_v[sF], res);
+    });
+  }
+
+  static void MooeeKernel_cpu(int                        Nsite,
+                              int                        Ls,
+                              const FermionField&        in,
+                              FermionField&              out,
+                              const CloverDiagonalField& diagonal,
+                              const CloverTriangleField& triangle) {
+    autoView(diagonal_v, diagonal, CpuRead);
+    autoView(triangle_v, triangle, CpuRead);
+    autoView(in_v,       in,       CpuRead);
+    autoView(out_v,      out,      CpuWrite);
+
+    typedef SiteSpinor CalcSpinor;
+
+#if defined(A64FX) || defined(A64FXFIXEDSIZE)
+#define PREFETCH_CLOVER(BASE) {                                     \
+    uint64_t base;                                                  \
+    int pf_dist_L1 = 1;                                             \
+    int pf_dist_L2 = -5; /* -> penalty -> disable */                \
+                                                                    \
+    if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {           \
+      base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);               \
+      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL1STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL1STRM); \
+    }                                                               \
+                                                                    \
+    if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {           \
+      base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);               \
+      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL2STRM); \
+      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL2STRM); \
+    }                                                               \
+  }
+// TODO: Implement/generalize this for other architectures
+// I played around a bit on KNL (see below) but didn't bring anything
+// #elif defined(AVX512)
+// #define PREFETCH_CLOVER(BASE) {                              \
+//     uint64_t base;                                           \
+//     int pf_dist_L1 = 1;                                      \
+//     int pf_dist_L2 = +4;                                     \
+//                                                              \
+//     if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {    \
+//       base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);        \
+//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T0); \
+//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T0); \
+//     }                                                        \
+//                                                              \
+//     if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {    \
+//       base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);        \
+//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T1); \
+//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T1); \
+//     }                                                        \
+//   }
+#else
+#define PREFETCH_CLOVER(BASE)
+#endif
+
+    const uint64_t NN = Nsite * Ls;
+
+    thread_for(ss, NN, {
+      int sF = ss;
+      int sU = ss/Ls;
+      CalcSpinor res;
+      CalcSpinor in_t = in_v[sF];
+      auto diag_t     = diagonal_v[sU]; // "diag" instead of "diagonal" here to make code below easier to read
+      auto triangle_t = triangle_v[sU];
+
+      // upper half
+      PREFETCH_CLOVER(0);
+
+      auto in_cc_0_0 = conjugate(in_t()(0)(0)); // Nils: reduces number
+      auto in_cc_0_1 = conjugate(in_t()(0)(1)); // of conjugates from
+      auto in_cc_0_2 = conjugate(in_t()(0)(2)); // 30 to 20
+      auto in_cc_1_0 = conjugate(in_t()(1)(0));
+      auto in_cc_1_1 = conjugate(in_t()(1)(1));
+
+      res()(0)(0) =               diag_t()(0)( 0) * in_t()(0)(0)
+                  +           triangle_t()(0)( 0) * in_t()(0)(1)
+                  +           triangle_t()(0)( 1) * in_t()(0)(2)
+                  +           triangle_t()(0)( 2) * in_t()(1)(0)
+                  +           triangle_t()(0)( 3) * in_t()(1)(1)
+                  +           triangle_t()(0)( 4) * in_t()(1)(2);
+
+      res()(0)(1) =           triangle_t()(0)( 0) * in_cc_0_0;
+      res()(0)(1) =               diag_t()(0)( 1) * in_t()(0)(1)
+                  +           triangle_t()(0)( 5) * in_t()(0)(2)
+                  +           triangle_t()(0)( 6) * in_t()(1)(0)
+                  +           triangle_t()(0)( 7) * in_t()(1)(1)
+                  +           triangle_t()(0)( 8) * in_t()(1)(2)
+                  + conjugate(       res()(0)( 1));
+
+      res()(0)(2) =           triangle_t()(0)( 1) * in_cc_0_0
+                  +           triangle_t()(0)( 5) * in_cc_0_1;
+      res()(0)(2) =               diag_t()(0)( 2) * in_t()(0)(2)
+                  +           triangle_t()(0)( 9) * in_t()(1)(0)
+                  +           triangle_t()(0)(10) * in_t()(1)(1)
+                  +           triangle_t()(0)(11) * in_t()(1)(2)
+                  + conjugate(       res()(0)( 2));
+
+      res()(1)(0) =           triangle_t()(0)( 2) * in_cc_0_0
+                  +           triangle_t()(0)( 6) * in_cc_0_1
+                  +           triangle_t()(0)( 9) * in_cc_0_2;
+      res()(1)(0) =               diag_t()(0)( 3) * in_t()(1)(0)
+                  +           triangle_t()(0)(12) * in_t()(1)(1)
+                  +           triangle_t()(0)(13) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 0));
+
+      res()(1)(1) =           triangle_t()(0)( 3) * in_cc_0_0
+                  +           triangle_t()(0)( 7) * in_cc_0_1
+                  +           triangle_t()(0)(10) * in_cc_0_2
+                  +           triangle_t()(0)(12) * in_cc_1_0;
+      res()(1)(1) =               diag_t()(0)( 4) * in_t()(1)(1)
+                  +           triangle_t()(0)(14) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 1));
+
+      res()(1)(2) =           triangle_t()(0)( 4) * in_cc_0_0
+                  +           triangle_t()(0)( 8) * in_cc_0_1
+                  +           triangle_t()(0)(11) * in_cc_0_2
+                  +           triangle_t()(0)(13) * in_cc_1_0
+                  +           triangle_t()(0)(14) * in_cc_1_1;
+      res()(1)(2) =               diag_t()(0)( 5) * in_t()(1)(2)
+                  + conjugate(       res()(1)( 2));
+
+      vstream(out_v[sF]()(0)(0), res()(0)(0));
+      vstream(out_v[sF]()(0)(1), res()(0)(1));
+      vstream(out_v[sF]()(0)(2), res()(0)(2));
+      vstream(out_v[sF]()(1)(0), res()(1)(0));
+      vstream(out_v[sF]()(1)(1), res()(1)(1));
+      vstream(out_v[sF]()(1)(2), res()(1)(2));
+
+      // lower half
+      PREFETCH_CLOVER(1);
+
+      auto in_cc_2_0 = conjugate(in_t()(2)(0));
+      auto in_cc_2_1 = conjugate(in_t()(2)(1));
+      auto in_cc_2_2 = conjugate(in_t()(2)(2));
+      auto in_cc_3_0 = conjugate(in_t()(3)(0));
+      auto in_cc_3_1 = conjugate(in_t()(3)(1));
+
+      res()(2)(0) =               diag_t()(1)( 0) * in_t()(2)(0)
+                  +           triangle_t()(1)( 0) * in_t()(2)(1)
+                  +           triangle_t()(1)( 1) * in_t()(2)(2)
+                  +           triangle_t()(1)( 2) * in_t()(3)(0)
+                  +           triangle_t()(1)( 3) * in_t()(3)(1)
+                  +           triangle_t()(1)( 4) * in_t()(3)(2);
+
+      res()(2)(1) =           triangle_t()(1)( 0) * in_cc_2_0;
+      res()(2)(1) =               diag_t()(1)( 1) * in_t()(2)(1)
+                  +           triangle_t()(1)( 5) * in_t()(2)(2)
+                  +           triangle_t()(1)( 6) * in_t()(3)(0)
+                  +           triangle_t()(1)( 7) * in_t()(3)(1)
+                  +           triangle_t()(1)( 8) * in_t()(3)(2)
+                  + conjugate(       res()(2)( 1));
+
+      res()(2)(2) =           triangle_t()(1)( 1) * in_cc_2_0
+                  +           triangle_t()(1)( 5) * in_cc_2_1;
+      res()(2)(2) =               diag_t()(1)( 2) * in_t()(2)(2)
+                  +           triangle_t()(1)( 9) * in_t()(3)(0)
+                  +           triangle_t()(1)(10) * in_t()(3)(1)
+                  +           triangle_t()(1)(11) * in_t()(3)(2)
+                  + conjugate(       res()(2)( 2));
+
+      res()(3)(0) =           triangle_t()(1)( 2) * in_cc_2_0
+                  +           triangle_t()(1)( 6) * in_cc_2_1
+                  +           triangle_t()(1)( 9) * in_cc_2_2;
+      res()(3)(0) =               diag_t()(1)( 3) * in_t()(3)(0)
+                  +           triangle_t()(1)(12) * in_t()(3)(1)
+                  +           triangle_t()(1)(13) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 0));
+
+      res()(3)(1) =           triangle_t()(1)( 3) * in_cc_2_0
+                  +           triangle_t()(1)( 7) * in_cc_2_1
+                  +           triangle_t()(1)(10) * in_cc_2_2
+                  +           triangle_t()(1)(12) * in_cc_3_0;
+      res()(3)(1) =               diag_t()(1)( 4) * in_t()(3)(1)
+                  +           triangle_t()(1)(14) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 1));
+
+      res()(3)(2) =           triangle_t()(1)( 4) * in_cc_2_0
+                  +           triangle_t()(1)( 8) * in_cc_2_1
+                  +           triangle_t()(1)(11) * in_cc_2_2
+                  +           triangle_t()(1)(13) * in_cc_3_0
+                  +           triangle_t()(1)(14) * in_cc_3_1;
+      res()(3)(2) =               diag_t()(1)( 5) * in_t()(3)(2)
+                  + conjugate(       res()(3)( 2));
+
+      vstream(out_v[sF]()(2)(0), res()(2)(0));
+      vstream(out_v[sF]()(2)(1), res()(2)(1));
+      vstream(out_v[sF]()(2)(2), res()(2)(2));
+      vstream(out_v[sF]()(3)(0), res()(3)(0));
+      vstream(out_v[sF]()(3)(1), res()(3)(1));
+      vstream(out_v[sF]()(3)(2), res()(3)(2));
+    });
+  }
+
+  static void MooeeKernel(int                        Nsite,
+                          int                        Ls,
+                          const FermionField&        in,
+                          FermionField&              out,
+                          const CloverDiagonalField& diagonal,
+                          const CloverTriangleField& triangle) {
+#if defined(GRID_CUDA) || defined(GRID_HIP)
+    MooeeKernel_gpu(Nsite, Ls, in, out, diagonal, triangle);
+#else
+    MooeeKernel_cpu(Nsite, Ls, in, out, diagonal, triangle);
+#endif
+  }
+
+  static void Invert(const CloverDiagonalField& diagonal,
+                     const CloverTriangleField& triangle,
+                     CloverDiagonalField&       diagonalInv,
+                     CloverTriangleField&       triangleInv) {
+    conformable(diagonal, diagonalInv);
+    conformable(triangle, triangleInv);
+    conformable(diagonal, triangle);
+
+    diagonalInv.Checkerboard() = diagonal.Checkerboard();
+    triangleInv.Checkerboard() = triangle.Checkerboard();
+
+    GridBase* grid = diagonal.Grid();
+
+    long lsites = grid->lSites();
+
+    typedef typename SiteCloverDiagonal::scalar_object scalar_object_diagonal;
+    typedef typename SiteCloverTriangle::scalar_object scalar_object_triangle;
+
+    autoView(diagonal_v,  diagonal,  CpuRead);
+    autoView(triangle_v,  triangle,  CpuRead);
+    autoView(diagonalInv_v, diagonalInv, CpuWrite);
+    autoView(triangleInv_v, triangleInv, CpuWrite);
+
+    thread_for(site, lsites, { // NOTE: Not on GPU because of Eigen & (peek/poke)LocalSite
+      Eigen::MatrixXcd clover_inv_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
+      Eigen::MatrixXcd clover_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
+
+      scalar_object_diagonal diagonal_tmp     = Zero();
+      scalar_object_diagonal diagonal_inv_tmp = Zero();
+      scalar_object_triangle triangle_tmp     = Zero();
+      scalar_object_triangle triangle_inv_tmp = Zero();
+
+      Coordinate lcoor;
+      grid->LocalIndexToLocalCoor(site, lcoor);
+
+      peekLocalSite(diagonal_tmp, diagonal_v, lcoor);
+      peekLocalSite(triangle_tmp, triangle_v, lcoor);
+
+      // TODO: can we save time here by inverting the two 6x6 hermitian matrices separately?
+      for (long s_row=0;s_row<Ns;s_row++) {
+        for (long s_col=0;s_col<Ns;s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for (long c_row=0;c_row<Nc;c_row++) {
+            for (long c_col=0;c_col<Nc;c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(diagonal_tmp()(block)(i)));
+              else
+                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(triangle_elem(triangle_tmp, block, i, j)));
+            }
+          }
+        }
+      }
+
+      clover_inv_eigen = clover_eigen.inverse();
+
+      for (long s_row=0;s_row<Ns;s_row++) {
+        for (long s_col=0;s_col<Ns;s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for (long c_row=0;c_row<Nc;c_row++) {
+            for (long c_col=0;c_col<Nc;c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                diagonal_inv_tmp()(block)(i) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
+              else if(i < j)
+                triangle_inv_tmp()(block)(triangle_index(i, j)) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
+              else
+                continue;
+            }
+          }
+        }
+      }
+
+      pokeLocalSite(diagonal_inv_tmp, diagonalInv_v, lcoor);
+      pokeLocalSite(triangle_inv_tmp, triangleInv_v, lcoor);
+    });
+  }
+
+  static void ConvertLayout(const CloverField&   full,
+                            CloverDiagonalField& diagonal,
+                            CloverTriangleField& triangle) {
+    conformable(full, diagonal);
+    conformable(full, triangle);
+
+    diagonal.Checkerboard() = full.Checkerboard();
+    triangle.Checkerboard() = full.Checkerboard();
+
+    autoView(full_v,     full,     AcceleratorRead);
+    autoView(diagonal_v, diagonal, AcceleratorWrite);
+    autoView(triangle_v, triangle, AcceleratorWrite);
+
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, full.Grid()->oSites(), 1, {
+      for(int s_row = 0; s_row < Ns; s_row++) {
+        for(int s_col = 0; s_col < Ns; s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for(int c_row = 0; c_row < Nc; c_row++) {
+            for(int c_col = 0; c_col < Nc; c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                diagonal_v[ss]()(block)(i) = full_v[ss]()(s_row, s_col)(c_row, c_col);
+              else if(i < j)
+                triangle_v[ss]()(block)(triangle_index(i, j)) = full_v[ss]()(s_row, s_col)(c_row, c_col);
+              else
+                continue;
+            }
+          }
+        }
+      }
+    });
+  }
+
+
+  static void ConvertLayout(const CloverDiagonalField& diagonal,
+                            const CloverTriangleField& triangle,
+                            CloverField&               full) {
+    conformable(full, diagonal);
+    conformable(full, triangle);
+
+    full.Checkerboard() = diagonal.Checkerboard();
+
+    full = Zero();
+
+    autoView(diagonal_v, diagonal, AcceleratorRead);
+    autoView(triangle_v, triangle, AcceleratorRead);
+    autoView(full_v,     full,     AcceleratorWrite);
+
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, full.Grid()->oSites(), 1, {
+      for(int s_row = 0; s_row < Ns; s_row++) {
+        for(int s_col = 0; s_col < Ns; s_col++) {
+          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
+          int block       = s_row / Nhs;
+          int s_row_block = s_row % Nhs;
+          int s_col_block = s_col % Nhs;
+          for(int c_row = 0; c_row < Nc; c_row++) {
+            for(int c_col = 0; c_col < Nc; c_col++) {
+              int i = s_row_block * Nc + c_row;
+              int j = s_col_block * Nc + c_col;
+              if(i == j)
+                full_v[ss]()(s_row, s_col)(c_row, c_col) = diagonal_v[ss]()(block)(i);
+              else
+                full_v[ss]()(s_row, s_col)(c_row, c_col) = triangle_elem(triangle_v[ss], block, i, j);
+            }
+          }
+        }
+      }
+    });
+  }
+
+  static void ModifyBoundaries(CloverDiagonalField& diagonal, CloverTriangleField& triangle, RealD csw_t, RealD cF, RealD diag_mass) {
+    // Checks/grid
+    double t0 = usecond();
+    conformable(diagonal, triangle);
+    GridBase* grid = diagonal.Grid();
+
+    // Determine the boundary coordinates/sites
+    double t1 = usecond();
+    int t_dir = Nd - 1;
+    Lattice<iScalar<vInteger>> t_coor(grid);
+    LatticeCoordinate(t_coor, t_dir);
+    int T = grid->GlobalDimensions()[t_dir];
+
+    // Set off-diagonal parts at boundary to zero -- OK
+    double t2 = usecond();
+    CloverTriangleField zeroTriangle(grid);
+    zeroTriangle.Checkerboard() = triangle.Checkerboard();
+    zeroTriangle = Zero();
+    triangle = where(t_coor == 0,   zeroTriangle, triangle);
+    triangle = where(t_coor == T-1, zeroTriangle, triangle);
+
+    // Set diagonal to unity (scaled correctly) -- OK
+    double t3 = usecond();
+    CloverDiagonalField tmp(grid);
+    tmp.Checkerboard() = diagonal.Checkerboard();
+    tmp                = -1.0 * csw_t + diag_mass;
+    diagonal           = where(t_coor == 0,   tmp, diagonal);
+    diagonal           = where(t_coor == T-1, tmp, diagonal);
+
+    // Correct values next to boundary
+    double t4 = usecond();
+    if(cF != 1.0) {
+      tmp = cF - 1.0;
+      tmp += diagonal;
+      diagonal = where(t_coor == 1,   tmp, diagonal);
+      diagonal = where(t_coor == T-2, tmp, diagonal);
+    }
+
+    // Report timings
+    double t5 = usecond();
+#if 0
+    std::cout << GridLogMessage << "CompactWilsonCloverHelpers::ModifyBoundaries timings:"
+              << " checks = "          << (t1 - t0) / 1e6
+              << ", coordinate = "     << (t2 - t1) / 1e6
+              << ", off-diag zero = "  << (t3 - t2) / 1e6
+              << ", diagonal unity = " << (t4 - t3) / 1e6
+              << ", near-boundary = "  << (t5 - t4) / 1e6
+              << ", total = "          << (t5 - t0) / 1e6
+              << std::endl;
+#endif
+  }
+
+  template<class Field, class Mask>
+  static strong_inline void ApplyBoundaryMask(Field& f, const Mask& m) {
+    conformable(f, m);
+    auto grid  = f.Grid();
+    const uint32_t Nsite = grid->oSites();
+    const uint32_t Nsimd = grid->Nsimd();
+    autoView(f_v, f, AcceleratorWrite);
+    autoView(m_v, m, AcceleratorRead);
+    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
+    accelerator_for(ss, Nsite, Nsimd, {
+      coalescedWrite(f_v[ss], m_v(ss) * f_v(ss));
+    });
+  }
+
+  template<class MaskField>
+  static void SetupMasks(MaskField& full, MaskField& even, MaskField& odd) {
+    assert(even.Grid()->_isCheckerBoarded && even.Checkerboard() == Even);
+    assert(odd.Grid()->_isCheckerBoarded  && odd.Checkerboard()  == Odd);
+    assert(!full.Grid()->_isCheckerBoarded);
+
+    GridBase* grid = full.Grid();
+    int t_dir = Nd-1;
+    Lattice<iScalar<vInteger>> t_coor(grid);
+    LatticeCoordinate(t_coor, t_dir);
+    int T = grid->GlobalDimensions()[t_dir];
+
+    MaskField zeroMask(grid); zeroMask = Zero();
+    full = 1.0;
+    full = where(t_coor == 0,   zeroMask, full);
+    full = where(t_coor == T-1, zeroMask, full);
+
+    pickCheckerboard(Even, even, full);
+    pickCheckerboard(Odd,  odd,  full);
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/WilsonCloverTypes.h

@@ -0,0 +1,92 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/WilsonCloverTypes.h
+
+    Copyright (C) 2021 - 2022
+
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    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 Impl>
+class WilsonCloverTypes {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+  template <typename vtype> using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
+
+  typedef iImplClover<Simd> SiteClover;
+
+  typedef Lattice<SiteClover> CloverField;
+};
+
+template<class Impl>
+class CompactWilsonCloverTypes {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+  static_assert(Nd == 4 && Nc == 3 && Ns == 4 && Impl::Dimension == 3, "Wrong dimensions");
+
+  static constexpr int Nred      = Nc * Nhs;        // 6
+  static constexpr int Nblock    = Nhs;             // 2
+  static constexpr int Ndiagonal = Nred;            // 6
+  static constexpr int Ntriangle = (Nred - 1) * Nc; // 15
+
+  template<typename vtype> using iImplCloverDiagonal = iScalar<iVector<iVector<vtype, Ndiagonal>, Nblock>>;
+  template<typename vtype> using iImplCloverTriangle = iScalar<iVector<iVector<vtype, Ntriangle>, Nblock>>;
+
+  typedef iImplCloverDiagonal<Simd> SiteCloverDiagonal;
+  typedef iImplCloverTriangle<Simd> SiteCloverTriangle;
+  typedef iSinglet<Simd>            SiteMask;
+
+  typedef Lattice<SiteCloverDiagonal> CloverDiagonalField;
+  typedef Lattice<SiteCloverTriangle> CloverTriangleField;
+  typedef Lattice<SiteMask>           MaskField;
+};
+
+#define INHERIT_CLOVER_TYPES(Impl)                                 \
+  typedef typename WilsonCloverTypes<Impl>::SiteClover SiteClover; \
+  typedef typename WilsonCloverTypes<Impl>::CloverField CloverField;
+
+#define INHERIT_COMPACT_CLOVER_TYPES(Impl) \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverDiagonal  SiteCloverDiagonal; \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverTriangle  SiteCloverTriangle; \
+  typedef typename CompactWilsonCloverTypes<Impl>::SiteMask            SiteMask; \
+  typedef typename CompactWilsonCloverTypes<Impl>::CloverDiagonalField CloverDiagonalField; \
+  typedef typename CompactWilsonCloverTypes<Impl>::CloverTriangleField CloverTriangleField; \
+  typedef typename CompactWilsonCloverTypes<Impl>::MaskField           MaskField; \
+  /* ugly duplication but needed inside functionality classes */ \
+  template<typename vtype> using iImplCloverDiagonal = \
+    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ndiagonal>, CompactWilsonCloverTypes<Impl>::Nblock>>; \
+  template<typename vtype> using iImplCloverTriangle = \
+    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ntriangle>, CompactWilsonCloverTypes<Impl>::Nblock>>;
+
+#define INHERIT_COMPACT_CLOVER_SIZES(Impl)                                    \
+  static constexpr int Nred      = CompactWilsonCloverTypes<Impl>::Nred;      \
+  static constexpr int Nblock    = CompactWilsonCloverTypes<Impl>::Nblock;    \
+  static constexpr int Ndiagonal = CompactWilsonCloverTypes<Impl>::Ndiagonal; \
+  static constexpr int Ntriangle = CompactWilsonCloverTypes<Impl>::Ntriangle;
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/WilsonCompressor.h

@@ -303,11 +303,9 @@ public:
 		int npoints,
 		int checkerboard,
 		const std::vector<int> &directions,
-		const std::vector<int> &distances,
+		const std::vector<int> &distances,Parameters p)  
-		bool locally_periodic,
+    : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,p) 
-		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

@@ -146,11 +146,8 @@ 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,
@@ -160,10 +157,7 @@ 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

@@ -165,14 +165,7 @@ 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,
@@ -181,11 +174,19 @@ 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, CommsDirichlet };
+  enum { CommsAndCompute, CommsThenCompute };
   static int Opt;  
   static int Comms;
 };

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

@@ -112,6 +112,7 @@ 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)
 {
@@ -126,37 +127,6 @@ 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)
 {
@@ -858,6 +828,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
 
 #if (!defined(GRID_HIP))
   int tshift = (mu == Nd-1) ? 1 : 0;
+  unsigned int LLt    = GridDefaultLatt()[Tp];
   ////////////////////////////////////////////////
   // GENERAL CAYLEY CASE
   ////////////////////////////////////////////////
@@ -910,7 +881,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
   }
 
   std::vector<RealD> G_s(Ls,1.0);
-  RealD sign = 1; // sign flip for vector/tadpole
+  RealD sign = 1.0; // sign flip for vector/tadpole
   if ( curr_type == Current::Axial ) {
     for(int s=0;s<Ls/2;s++){
       G_s[s] = -1.0;
@@ -920,7 +891,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     auto b=this->_b;
     auto c=this->_c;
     if ( b == 1 && c == 0 ) {
-      sign = -1;    
+      sign = -1.0;    
     }
     else {
       std::cerr << "Error: Tadpole implementation currently unavailable for non-Shamir actions." << std::endl;
@@ -964,7 +935,13 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     tmp    = Cshift(tmp,mu,-1);
     Impl::multLinkField(Utmp,this->Umu,tmp,mu+Nd); // Adjoint link
     tmp = -G_s[s]*( Utmp + gmu*Utmp );
-    tmp    = where((lcoor>=tmin+tshift),tmp,zz); // Mask the time 
+    // Mask the time
+    if (tmax == LLt - 1 && tshift == 1){ // quick fix to include timeslice 0 if tmax + tshift is over the last timeslice
+      unsigned int t0 = 0;
+      tmp    = where(((lcoor==t0) || (lcoor>=tmin+tshift)),tmp,zz);
+    } else {
+      tmp    = where((lcoor>=tmin+tshift),tmp,zz);
+    }
     L_Q   += where((lcoor<=tmax+tshift),tmp,zz); // Position of current complicated
 
     InsertSlice(L_Q, q_out, s , 0);

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

@@ -0,0 +1,363 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermionImplementation.h
+
+    Copyright (C) 2017 - 2022
+
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    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/spin/Dirac.h>
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
+
+NAMESPACE_BEGIN(Grid);
+template<class Impl>
+CompactWilsonCloverFermion<Impl>::CompactWilsonCloverFermion(GaugeField& _Umu,
+                                                             GridCartesian& Fgrid,
+                                                             GridRedBlackCartesian& Hgrid,
+                                                             const RealD _mass,
+                                                             const RealD _csw_r,
+                                                             const RealD _csw_t,
+                                                             const RealD _cF,
+                                                             const WilsonAnisotropyCoefficients& clover_anisotropy,
+                                                             const ImplParams& impl_p)
+  : WilsonBase(_Umu, Fgrid, Hgrid, _mass, impl_p, clover_anisotropy)
+  , csw_r(_csw_r)
+  , csw_t(_csw_t)
+  , cF(_cF)
+  , open_boundaries(impl_p.boundary_phases[Nd-1] == 0.0)
+  , Diagonal(&Fgrid),        Triangle(&Fgrid)
+  , DiagonalEven(&Hgrid),    TriangleEven(&Hgrid)
+  , DiagonalOdd(&Hgrid),     TriangleOdd(&Hgrid)
+  , DiagonalInv(&Fgrid),     TriangleInv(&Fgrid)
+  , DiagonalInvEven(&Hgrid), TriangleInvEven(&Hgrid)
+  , DiagonalInvOdd(&Hgrid),  TriangleInvOdd(&Hgrid)
+  , Tmp(&Fgrid)
+  , BoundaryMask(&Fgrid)
+  , BoundaryMaskEven(&Hgrid), BoundaryMaskOdd(&Hgrid)
+{
+  csw_r *= 0.5;
+  csw_t *= 0.5;
+  if (clover_anisotropy.isAnisotropic)
+    csw_r /= clover_anisotropy.xi_0;
+
+  ImportGauge(_Umu);
+  if (open_boundaries)
+    CompactHelpers::SetupMasks(this->BoundaryMask, this->BoundaryMaskEven, this->BoundaryMaskOdd);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::Dhop(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::Dhop(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::DhopOE(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::DhopOE(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::DhopEO(const FermionField& in, FermionField& out, int dag) {
+  WilsonBase::DhopEO(in, out, dag);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::DhopDir(const FermionField& in, FermionField& out, int dir, int disp) {
+  WilsonBase::DhopDir(in, out, dir, disp);
+  if(this->open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::DhopDirAll(const FermionField& in, std::vector<FermionField>& out) {
+  WilsonBase::DhopDirAll(in, out);
+  if(this->open_boundaries) {
+    for(auto& o : out) ApplyBoundaryMask(o);
+  }
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::M(const FermionField& in, FermionField& out) {
+  out.Checkerboard() = in.Checkerboard();
+  WilsonBase::Dhop(in, out, DaggerNo); // call base to save applying bc
+  Mooee(in, Tmp);
+  axpy(out, 1.0, out, Tmp);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::Mdag(const FermionField& in, FermionField& out) {
+  out.Checkerboard() = in.Checkerboard();
+  WilsonBase::Dhop(in, out, DaggerYes);  // call base to save applying bc
+  MooeeDag(in, Tmp);
+  axpy(out, 1.0, out, Tmp);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::Meooe(const FermionField& in, FermionField& out) {
+  WilsonBase::Meooe(in, out);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MeooeDag(const FermionField& in, FermionField& out) {
+  WilsonBase::MeooeDag(in, out);
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::Mooee(const FermionField& in, FermionField& out) {
+  if(in.Grid()->_isCheckerBoarded) {
+    if(in.Checkerboard() == Odd) {
+      MooeeInternal(in, out, DiagonalOdd, TriangleOdd);
+    } else {
+      MooeeInternal(in, out, DiagonalEven, TriangleEven);
+    }
+  } else {
+    MooeeInternal(in, out, Diagonal, Triangle);
+  }
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MooeeDag(const FermionField& in, FermionField& out) {
+  Mooee(in, out); // blocks are hermitian
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MooeeInv(const FermionField& in, FermionField& out) {
+  if(in.Grid()->_isCheckerBoarded) {
+    if(in.Checkerboard() == Odd) {
+      MooeeInternal(in, out, DiagonalInvOdd, TriangleInvOdd);
+    } else {
+      MooeeInternal(in, out, DiagonalInvEven, TriangleInvEven);
+    }
+  } else {
+    MooeeInternal(in, out, DiagonalInv, TriangleInv);
+  }
+  if(open_boundaries) ApplyBoundaryMask(out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MooeeInvDag(const FermionField& in, FermionField& out) {
+  MooeeInv(in, out); // blocks are hermitian
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::Mdir(const FermionField& in, FermionField& out, int dir, int disp) {
+  DhopDir(in, out, dir, disp);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MdirAll(const FermionField& in, std::vector<FermionField>& out) {
+  DhopDirAll(in, out);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) {
+  assert(!open_boundaries); // TODO check for changes required for open bc
+
+  // NOTE: code copied from original clover term
+  conformable(X.Grid(), Y.Grid());
+  conformable(X.Grid(), force.Grid());
+  GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
+  GaugeField clover_force(force.Grid());
+  PropagatorField Lambda(force.Grid());
+
+  // Guido: Here we are hitting some performance issues:
+  // need to extract the components of the DoubledGaugeField
+  // for each call
+  // Possible solution
+  // Create a vector object to store them? (cons: wasting space)
+  std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
+
+  Impl::extractLinkField(U, this->Umu);
+
+  force = Zero();
+  // Derivative of the Wilson hopping term
+  this->DhopDeriv(force, X, Y, dag);
+
+  ///////////////////////////////////////////////////////////
+  // Clover term derivative
+  ///////////////////////////////////////////////////////////
+  Impl::outerProductImpl(Lambda, X, Y);
+  //std::cout << "Lambda:" << Lambda << std::endl;
+
+  Gamma::Algebra sigma[] = {
+      Gamma::Algebra::SigmaXY,
+      Gamma::Algebra::SigmaXZ,
+      Gamma::Algebra::SigmaXT,
+      Gamma::Algebra::MinusSigmaXY,
+      Gamma::Algebra::SigmaYZ,
+      Gamma::Algebra::SigmaYT,
+      Gamma::Algebra::MinusSigmaXZ,
+      Gamma::Algebra::MinusSigmaYZ,
+      Gamma::Algebra::SigmaZT,
+      Gamma::Algebra::MinusSigmaXT,
+      Gamma::Algebra::MinusSigmaYT,
+      Gamma::Algebra::MinusSigmaZT};
+
+  /*
+    sigma_{\mu \nu}=
+    | 0         sigma[0]  sigma[1]  sigma[2] |
+    | sigma[3]    0       sigma[4]  sigma[5] |
+    | sigma[6]  sigma[7]     0      sigma[8] |
+    | sigma[9]  sigma[10] sigma[11]   0      |
+  */
+
+  int count = 0;
+  clover_force = Zero();
+  for (int mu = 0; mu < 4; mu++)
+  {
+    force_mu = Zero();
+    for (int nu = 0; nu < 4; nu++)
+    {
+      if (mu == nu)
+        continue;
+
+      RealD factor;
+      if (nu == 4 || mu == 4)
+      {
+        factor = 2.0 * csw_t;
+      }
+      else
+      {
+        factor = 2.0 * csw_r;
+      }
+      PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
+      Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
+      force_mu -= factor*Helpers::Cmunu(U, lambda, mu, nu);   // checked
+      count++;
+    }
+
+    pokeLorentz(clover_force, U[mu] * force_mu, mu);
+  }
+  //clover_force *= csw;
+  force += clover_force;
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
+  assert(0);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
+  assert(0);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::MooeeInternal(const FermionField&        in,
+                    FermionField&              out,
+                    const CloverDiagonalField& diagonal,
+                    const CloverTriangleField& triangle) {
+  assert(in.Checkerboard() == Odd || in.Checkerboard() == Even);
+  out.Checkerboard() = in.Checkerboard();
+  conformable(in, out);
+  conformable(in, diagonal);
+  conformable(in, triangle);
+
+  CompactHelpers::MooeeKernel(diagonal.oSites(), 1, in, out, diagonal, triangle);
+}
+
+template<class Impl>
+void CompactWilsonCloverFermion<Impl>::ImportGauge(const GaugeField& _Umu) {
+  // NOTE: parts copied from original implementation
+
+  // Import gauge into base class
+  double t0 = usecond();
+  WilsonBase::ImportGauge(_Umu); // NOTE: called here and in wilson constructor -> performed twice, but can't avoid that
+
+  // Initialize temporary variables
+  double t1 = usecond();
+  conformable(_Umu.Grid(), this->GaugeGrid());
+  GridBase* grid = _Umu.Grid();
+  typename Impl::GaugeLinkField Bx(grid), By(grid), Bz(grid), Ex(grid), Ey(grid), Ez(grid);
+  CloverField TmpOriginal(grid);
+
+  // Compute the field strength terms mu>nu
+  double t2 = usecond();
+  WilsonLoops<Impl>::FieldStrength(Bx, _Umu, Zdir, Ydir);
+  WilsonLoops<Impl>::FieldStrength(By, _Umu, Zdir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Bz, _Umu, Ydir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Ex, _Umu, Tdir, Xdir);
+  WilsonLoops<Impl>::FieldStrength(Ey, _Umu, Tdir, Ydir);
+  WilsonLoops<Impl>::FieldStrength(Ez, _Umu, Tdir, Zdir);
+
+  // Compute the Clover Operator acting on Colour and Spin
+  // multiply here by the clover coefficients for the anisotropy
+  double t3 = usecond();
+  TmpOriginal  = Helpers::fillCloverYZ(Bx) * csw_r;
+  TmpOriginal += Helpers::fillCloverXZ(By) * csw_r;
+  TmpOriginal += Helpers::fillCloverXY(Bz) * csw_r;
+  TmpOriginal += Helpers::fillCloverXT(Ex) * csw_t;
+  TmpOriginal += Helpers::fillCloverYT(Ey) * csw_t;
+  TmpOriginal += Helpers::fillCloverZT(Ez) * csw_t;
+  TmpOriginal += this->diag_mass;
+
+  // Convert the data layout of the clover term
+  double t4 = usecond();
+  CompactHelpers::ConvertLayout(TmpOriginal, Diagonal, Triangle);
+
+  // Possible modify the boundary values
+  double t5 = usecond();
+  if(open_boundaries) CompactHelpers::ModifyBoundaries(Diagonal, Triangle, csw_t, cF, this->diag_mass);
+
+  // Invert the clover term in the improved layout
+  double t6 = usecond();
+  CompactHelpers::Invert(Diagonal, Triangle, DiagonalInv, TriangleInv);
+
+  // Fill the remaining clover fields
+  double t7 = usecond();
+  pickCheckerboard(Even, DiagonalEven,    Diagonal);
+  pickCheckerboard(Even, TriangleEven,    Triangle);
+  pickCheckerboard(Odd,  DiagonalOdd,     Diagonal);
+  pickCheckerboard(Odd,  TriangleOdd,     Triangle);
+  pickCheckerboard(Even, DiagonalInvEven, DiagonalInv);
+  pickCheckerboard(Even, TriangleInvEven, TriangleInv);
+  pickCheckerboard(Odd,  DiagonalInvOdd,  DiagonalInv);
+  pickCheckerboard(Odd,  TriangleInvOdd,  TriangleInv);
+
+  // Report timings
+  double t8 = usecond();
+#if 0
+  std::cout << GridLogMessage << "CompactWilsonCloverFermion::ImportGauge timings:"
+            << " WilsonFermion::Importgauge = " << (t1 - t0) / 1e6
+            << ", allocations = "               << (t2 - t1) / 1e6
+            << ", field strength = "            << (t3 - t2) / 1e6
+            << ", fill clover = "               << (t4 - t3) / 1e6
+            << ", convert = "                   << (t5 - t4) / 1e6
+            << ", boundaries = "                << (t6 - t5) / 1e6
+            << ", inversions = "                << (t7 - t6) / 1e6
+            << ", pick cbs = "                  << (t8 - t7) / 1e6
+            << ", total = "                     << (t8 - t0) / 1e6
+            << std::endl;
+#endif
+}
+
+NAMESPACE_END(Grid);

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

@@ -2,12 +2,13 @@
 
     Grid physics library, www.github.com/paboyle/Grid
 
-    Source file: ./lib/qcd/action/fermion/WilsonCloverFermion.cc
+    Source file: ./lib/qcd/action/fermion/WilsonCloverFermionImplementation.h
 
-    Copyright (C) 2017
+    Copyright (C) 2017 - 2022
 
     Author: paboyle <paboyle@ph.ed.ac.uk>
     Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
 
     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
@@ -33,6 +34,45 @@
 
 NAMESPACE_BEGIN(Grid);
 
+template<class Impl>
+WilsonCloverFermion<Impl>::WilsonCloverFermion(GaugeField&                         _Umu,
+                                               GridCartesian&                      Fgrid,
+                                               GridRedBlackCartesian&              Hgrid,
+                                               const RealD                         _mass,
+                                               const RealD                         _csw_r,
+                                               const RealD                         _csw_t,
+                                               const WilsonAnisotropyCoefficients& clover_anisotropy,
+                                               const ImplParams&                   impl_p)
+  : WilsonFermion<Impl>(_Umu, Fgrid, Hgrid, _mass, impl_p, clover_anisotropy)
+  , CloverTerm(&Fgrid)
+  , CloverTermInv(&Fgrid)
+  , CloverTermEven(&Hgrid)
+  , CloverTermOdd(&Hgrid)
+  , CloverTermInvEven(&Hgrid)
+  , CloverTermInvOdd(&Hgrid)
+  , CloverTermDagEven(&Hgrid)
+  , CloverTermDagOdd(&Hgrid)
+  , CloverTermInvDagEven(&Hgrid)
+  , CloverTermInvDagOdd(&Hgrid) {
+  assert(Nd == 4); // require 4 dimensions
+
+  if(clover_anisotropy.isAnisotropic) {
+    csw_r     = _csw_r * 0.5 / clover_anisotropy.xi_0;
+    diag_mass = _mass + 1.0 + (Nd - 1) * (clover_anisotropy.nu / clover_anisotropy.xi_0);
+  } else {
+    csw_r     = _csw_r * 0.5;
+    diag_mass = 4.0 + _mass;
+  }
+  csw_t = _csw_t * 0.5;
+
+  if(csw_r == 0)
+    std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_r = 0" << std::endl;
+  if(csw_t == 0)
+    std::cout << GridLogWarning << "Initializing WilsonCloverFermion with csw_t = 0" << std::endl;
+
+  ImportGauge(_Umu);
+}
+
 // *NOT* EO
 template <class Impl>
 void WilsonCloverFermion<Impl>::M(const FermionField &in, FermionField &out)
@@ -67,10 +107,13 @@ void WilsonCloverFermion<Impl>::Mdag(const FermionField &in, FermionField &out)
 template <class Impl>
 void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
 {
+  double t0 = usecond();
   WilsonFermion<Impl>::ImportGauge(_Umu);
+  double t1 = usecond();
   GridBase *grid = _Umu.Grid();
   typename Impl::GaugeLinkField Bx(grid), By(grid), Bz(grid), Ex(grid), Ey(grid), Ez(grid);
 
+  double t2 = usecond();
   // Compute the field strength terms mu>nu
   WilsonLoops<Impl>::FieldStrength(Bx, _Umu, Zdir, Ydir);
   WilsonLoops<Impl>::FieldStrength(By, _Umu, Zdir, Xdir);
@@ -79,19 +122,22 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
   WilsonLoops<Impl>::FieldStrength(Ey, _Umu, Tdir, Ydir);
   WilsonLoops<Impl>::FieldStrength(Ez, _Umu, Tdir, Zdir);
 
+  double t3 = usecond();
   // Compute the Clover Operator acting on Colour and Spin
   // multiply here by the clover coefficients for the anisotropy
-  CloverTerm  = fillCloverYZ(Bx) * csw_r;
+  CloverTerm  = Helpers::fillCloverYZ(Bx) * csw_r;
-  CloverTerm += fillCloverXZ(By) * csw_r;
+  CloverTerm += Helpers::fillCloverXZ(By) * csw_r;
-  CloverTerm += fillCloverXY(Bz) * csw_r;
+  CloverTerm += Helpers::fillCloverXY(Bz) * csw_r;
-  CloverTerm += fillCloverXT(Ex) * csw_t;
+  CloverTerm += Helpers::fillCloverXT(Ex) * csw_t;
-  CloverTerm += fillCloverYT(Ey) * csw_t;
+  CloverTerm += Helpers::fillCloverYT(Ey) * csw_t;
-  CloverTerm += fillCloverZT(Ez) * csw_t;
+  CloverTerm += Helpers::fillCloverZT(Ez) * csw_t;
   CloverTerm += diag_mass;
 
+  double t4 = usecond();
   int lvol = _Umu.Grid()->lSites();
   int DimRep = Impl::Dimension;
 
+  double t5 = usecond();
   {
     autoView(CTv,CloverTerm,CpuRead);
     autoView(CTIv,CloverTermInv,CpuWrite);
@@ -100,7 +146,7 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
       grid->LocalIndexToLocalCoor(site, lcoor);
       Eigen::MatrixXcd EigenCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
       Eigen::MatrixXcd EigenInvCloverOp = Eigen::MatrixXcd::Zero(Ns * DimRep, Ns * DimRep);
-      typename SiteCloverType::scalar_object Qx = Zero(), Qxinv = Zero();
+      typename SiteClover::scalar_object Qx = Zero(), Qxinv = Zero();
       peekLocalSite(Qx, CTv, lcoor);
       //if (csw!=0){
       for (int j = 0; j < Ns; j++)
@@ -125,6 +171,7 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
     });
   }
 
+  double t6 = usecond();
   // Separate the even and odd parts
   pickCheckerboard(Even, CloverTermEven, CloverTerm);
   pickCheckerboard(Odd, CloverTermOdd, CloverTerm);
@@ -137,6 +184,20 @@ void WilsonCloverFermion<Impl>::ImportGauge(const GaugeField &_Umu)
 
   pickCheckerboard(Even, CloverTermInvDagEven, adj(CloverTermInv));
   pickCheckerboard(Odd, CloverTermInvDagOdd, adj(CloverTermInv));
+  double t7 = usecond();
+
+#if 0
+  std::cout << GridLogMessage << "WilsonCloverFermion::ImportGauge timings:"
+            << " WilsonFermion::Importgauge = " << (t1 - t0) / 1e6
+            << ", allocations = "               << (t2 - t1) / 1e6
+            << ", field strength = "            << (t3 - t2) / 1e6
+            << ", fill clover = "               << (t4 - t3) / 1e6
+            << ", misc = "                      << (t5 - t4) / 1e6
+            << ", inversions = "                << (t6 - t5) / 1e6
+            << ", pick cbs = "                  << (t7 - t6) / 1e6
+            << ", total = "                     << (t7 - t0) / 1e6
+            << std::endl;
+#endif
 }
 
 template <class Impl>
@@ -167,7 +228,7 @@ template <class Impl>
 void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionField &out, int dag, int inv)
 {
   out.Checkerboard() = in.Checkerboard();
-  CloverFieldType *Clover;
+  CloverField *Clover;
   assert(in.Checkerboard() == Odd || in.Checkerboard() == Even);
 
   if (dag)
@@ -182,12 +243,12 @@ void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionFie
       {
         Clover = (inv) ? &CloverTermInvDagEven : &CloverTermDagEven;
       }
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
     }
     else
     {
       Clover = (inv) ? &CloverTermInv : &CloverTerm;
-      out = adj(*Clover) * in;
+      Helpers::multCloverField(out, *Clover, in); // don't bother with adj, hermitian anyway
     }
   }
   else
@@ -205,18 +266,98 @@ void WilsonCloverFermion<Impl>::MooeeInternal(const FermionField &in, FermionFie
         //  std::cout << "Calling clover term Even" << std::endl;
         Clover = (inv) ? &CloverTermInvEven : &CloverTermEven;
       }
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
       //  std::cout << GridLogMessage << "*Clover.Checkerboard() "  << (*Clover).Checkerboard() << std::endl;
     }
     else
     {
       Clover = (inv) ? &CloverTermInv : &CloverTerm;
-      out = *Clover * in;
+      Helpers::multCloverField(out, *Clover, in);
     }
   }
-
 } // MooeeInternal
 
+// Derivative parts unpreconditioned pseudofermions
+template <class Impl>
+void WilsonCloverFermion<Impl>::MDeriv(GaugeField &force, const FermionField &X, const FermionField &Y, int dag)
+{
+  conformable(X.Grid(), Y.Grid());
+  conformable(X.Grid(), force.Grid());
+  GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
+  GaugeField clover_force(force.Grid());
+  PropagatorField Lambda(force.Grid());
+
+  // Guido: Here we are hitting some performance issues:
+  // need to extract the components of the DoubledGaugeField
+  // for each call
+  // Possible solution
+  // Create a vector object to store them? (cons: wasting space)
+  std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
+
+  Impl::extractLinkField(U, this->Umu);
+
+  force = Zero();
+  // Derivative of the Wilson hopping term
+  this->DhopDeriv(force, X, Y, dag);
+
+  ///////////////////////////////////////////////////////////
+  // Clover term derivative
+  ///////////////////////////////////////////////////////////
+  Impl::outerProductImpl(Lambda, X, Y);
+  //std::cout << "Lambda:" << Lambda << std::endl;
+
+  Gamma::Algebra sigma[] = {
+      Gamma::Algebra::SigmaXY,
+      Gamma::Algebra::SigmaXZ,
+      Gamma::Algebra::SigmaXT,
+      Gamma::Algebra::MinusSigmaXY,
+      Gamma::Algebra::SigmaYZ,
+      Gamma::Algebra::SigmaYT,
+      Gamma::Algebra::MinusSigmaXZ,
+      Gamma::Algebra::MinusSigmaYZ,
+      Gamma::Algebra::SigmaZT,
+      Gamma::Algebra::MinusSigmaXT,
+      Gamma::Algebra::MinusSigmaYT,
+      Gamma::Algebra::MinusSigmaZT};
+
+  /*
+    sigma_{\mu \nu}=
+    | 0         sigma[0]  sigma[1]  sigma[2] |
+    | sigma[3]    0       sigma[4]  sigma[5] |
+    | sigma[6]  sigma[7]     0      sigma[8] |
+    | sigma[9]  sigma[10] sigma[11]   0      |
+  */
+
+  int count = 0;
+  clover_force = Zero();
+  for (int mu = 0; mu < 4; mu++)
+  {
+    force_mu = Zero();
+    for (int nu = 0; nu < 4; nu++)
+    {
+      if (mu == nu)
+      continue;
+
+      RealD factor;
+      if (nu == 4 || mu == 4)
+      {
+        factor = 2.0 * csw_t;
+      }
+      else
+      {
+        factor = 2.0 * csw_r;
+      }
+      PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
+      Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
+      force_mu -= factor*Helpers::Cmunu(U, lambda, mu, nu);                   // checked
+      count++;
+    }
+
+    pokeLorentz(clover_force, U[mu] * force_mu, mu);
+  }
+  //clover_force *= csw;
+  force += clover_force;
+}
 
 // Derivative parts
 template <class Impl>

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.locally_periodic,p),
+  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p),
-  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p.locally_periodic,p), // source is Even
+  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p), // source is Even
-  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p.locally_periodic,p), // source is Odd
+  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p), // source is Odd
   M5(_M5),
   Umu(_FourDimGrid),
   UmuEven(_FourDimRedBlackGrid),
@@ -361,21 +361,10 @@ 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();
 }
 
@@ -442,30 +431,6 @@ 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.locally_periodic,p),
+    Stencil(&Fgrid, npoint, Even, directions, displacements,p),
-    StencilEven(&Hgrid, npoint, Even, directions,displacements,p.locally_periodic,p),  // source is Even
+    StencilEven(&Hgrid, npoint, Even, directions,displacements,p),  // source is Even
-    StencilOdd(&Hgrid, npoint, Odd, directions,displacements,p.locally_periodic,p),  // source is Odd
+    StencilOdd(&Hgrid, npoint, Odd, directions,displacements,p),  // source is Odd
     mass(_mass),
     Lebesgue(_grid),
     LebesgueEvenOdd(_cbgrid),
@@ -488,21 +488,12 @@ void WilsonFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder &lo,
                                        FermionField &out, int dag)
 {
   DhopTotalTime-=usecond();
-
+#ifdef GRID_OMP
-  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
+  if ( 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 ) {
+#endif
     DhopInternalSerial(st,lo,U,in,out,dag);
-  }
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet ) {
-    DhopInternalDirichletComms(st,lo,U,in,out,dag);
-  }
   DhopTotalTime+=usecond();
 }
 
@@ -571,29 +562,6 @@ 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/fermion/implementation/WilsonKernelsHandImplementation.h

@@ -77,23 +77,23 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define REGISTER
 
 #ifdef GRID_SIMT
-#define LOAD_CHIMU(ptype)		\
+#define LOAD_CHIMU(Ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
-    Chimu_00=coalescedReadPermute<ptype>(ref()(0)(0),perm,lane);	\
+    Chimu_00=coalescedReadPermute<Ptype>(ref()(0)(0),perm,lane);	\
-    Chimu_01=coalescedReadPermute<ptype>(ref()(0)(1),perm,lane);		\
+    Chimu_01=coalescedReadPermute<Ptype>(ref()(0)(1),perm,lane);		\
-    Chimu_02=coalescedReadPermute<ptype>(ref()(0)(2),perm,lane);		\
+    Chimu_02=coalescedReadPermute<Ptype>(ref()(0)(2),perm,lane);		\
-    Chimu_10=coalescedReadPermute<ptype>(ref()(1)(0),perm,lane);		\
+    Chimu_10=coalescedReadPermute<Ptype>(ref()(1)(0),perm,lane);		\
-    Chimu_11=coalescedReadPermute<ptype>(ref()(1)(1),perm,lane);		\
+    Chimu_11=coalescedReadPermute<Ptype>(ref()(1)(1),perm,lane);		\
-    Chimu_12=coalescedReadPermute<ptype>(ref()(1)(2),perm,lane);		\
+    Chimu_12=coalescedReadPermute<Ptype>(ref()(1)(2),perm,lane);		\
-    Chimu_20=coalescedReadPermute<ptype>(ref()(2)(0),perm,lane);		\
+    Chimu_20=coalescedReadPermute<Ptype>(ref()(2)(0),perm,lane);		\
-    Chimu_21=coalescedReadPermute<ptype>(ref()(2)(1),perm,lane);		\
+    Chimu_21=coalescedReadPermute<Ptype>(ref()(2)(1),perm,lane);		\
-    Chimu_22=coalescedReadPermute<ptype>(ref()(2)(2),perm,lane);		\
+    Chimu_22=coalescedReadPermute<Ptype>(ref()(2)(2),perm,lane);		\
-    Chimu_30=coalescedReadPermute<ptype>(ref()(3)(0),perm,lane);		\
+    Chimu_30=coalescedReadPermute<Ptype>(ref()(3)(0),perm,lane);		\
-    Chimu_31=coalescedReadPermute<ptype>(ref()(3)(1),perm,lane);		\
+    Chimu_31=coalescedReadPermute<Ptype>(ref()(3)(1),perm,lane);		\
-    Chimu_32=coalescedReadPermute<ptype>(ref()(3)(2),perm,lane);	}
+    Chimu_32=coalescedReadPermute<Ptype>(ref()(3)(2),perm,lane);	}
 #define PERMUTE_DIR(dir) ;
 #else
-#define LOAD_CHIMU(ptype)		\
+#define LOAD_CHIMU(Ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
     Chimu_00=ref()(0)(0);\
     Chimu_01=ref()(0)(1);\
@@ -109,12 +109,12 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     Chimu_32=ref()(3)(2);}
 
 #define PERMUTE_DIR(dir)			\
-  permute##dir(Chi_00,Chi_00);	\
+  permute##dir(Chi_00,Chi_00);			\
-      permute##dir(Chi_01,Chi_01);\
+  permute##dir(Chi_01,Chi_01);			\
-      permute##dir(Chi_02,Chi_02);\
+  permute##dir(Chi_02,Chi_02);			\
-      permute##dir(Chi_10,Chi_10);	\
+  permute##dir(Chi_10,Chi_10);			\
-      permute##dir(Chi_11,Chi_11);\
+  permute##dir(Chi_11,Chi_11);			\
-      permute##dir(Chi_12,Chi_12);
+  permute##dir(Chi_12,Chi_12);
 
 #endif
 
@@ -371,88 +371,91 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   result_32-= UChi_12;
 
 #define HAND_STENCIL_LEGB(PROJ,PERM,DIR,RECON)	\
-  SE=st.GetEntry(ptype,DIR,ss);			\
+  {int ptype;					\
-  offset = SE->_offset;				\
+   SE=st.GetEntry(ptype,DIR,ss);		\
-  local  = SE->_is_local;			\
+   auto offset = SE->_offset;			\
-  perm   = SE->_permute;			\
+   auto local  = SE->_is_local;			\
-  if ( local ) {				\
+   auto perm   = SE->_permute;			\
-    LOAD_CHIMU(PERM);				\
+   if ( local ) {				\
-    PROJ;					\
+     LOAD_CHIMU(PERM);				\
-    if ( perm) {				\
+     PROJ;					\
-      PERMUTE_DIR(PERM);			\
+     if ( perm) {				\
-    }						\
+       PERMUTE_DIR(PERM);			\
-  } else {					\
+     }						\
-    LOAD_CHI;					\
+   } else {					\
-  }						\
+     LOAD_CHI;					\
-  acceleratorSynchronise();			\
+   }						\
-  MULT_2SPIN(DIR);				\
+   acceleratorSynchronise();			\
-  RECON;					
+   MULT_2SPIN(DIR);				\
+   RECON;					}
 
-#define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON)	\
+#define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON)		\
-  SE=&st_p[DIR+8*ss];				\
+  { SE=&st_p[DIR+8*ss];						\
-  ptype=st_perm[DIR];				\
+  auto ptype=st_perm[DIR];					\
-  offset = SE->_offset;				\
+  auto offset = SE->_offset;					\
-  local  = SE->_is_local;			\
+  auto local  = SE->_is_local;					\
-  perm   = SE->_permute;			\
+  auto perm   = SE->_permute;					\
-  if ( local ) {				\
+  if ( local ) {						\
-    LOAD_CHIMU(PERM);				\
+    LOAD_CHIMU(PERM);						\
-    PROJ;					\
+    PROJ;							\
-    if ( perm) {				\
+    if ( perm) {						\
-      PERMUTE_DIR(PERM);			\
+      PERMUTE_DIR(PERM);					\
-    }						\
+    }								\
-  } else {					\
+  } else {							\
-    LOAD_CHI;					\
+    LOAD_CHI;							\
-  }						\
+  }								\
-  acceleratorSynchronise();			\
+  acceleratorSynchronise();					\
-  MULT_2SPIN(DIR);				\
+  MULT_2SPIN(DIR);						\
-  RECON;					
+  RECON;					}
 
 #define HAND_STENCIL_LEGA(PROJ,PERM,DIR,RECON)				\
-  SE=&st_p[DIR+8*ss];							\
+  { SE=&st_p[DIR+8*ss];							\
-  ptype=st_perm[DIR];							\
+    auto ptype=st_perm[DIR];						\
- /*SE=st.GetEntry(ptype,DIR,ss);*/					\
+    /*SE=st.GetEntry(ptype,DIR,ss);*/					\
-  offset = SE->_offset;				\
+    auto offset = SE->_offset;						\
-  perm   = SE->_permute;			\
+    auto perm   = SE->_permute;						\
-  LOAD_CHIMU(PERM);				\
+    LOAD_CHIMU(PERM);							\
-  PROJ;						\
+    PROJ;								\
-  MULT_2SPIN(DIR);				\
+    MULT_2SPIN(DIR);							\
-  RECON;					
+    RECON;					}
 
 #define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON)	\
-  SE=st.GetEntry(ptype,DIR,ss);			\
+  { int ptype;						\
-  offset = SE->_offset;				\
+  SE=st.GetEntry(ptype,DIR,ss);				\
-  local  = SE->_is_local;			\
+  auto offset = SE->_offset;					\
-  perm   = SE->_permute;			\
+  auto local  = SE->_is_local;					\
-  if ( local ) {				\
+  auto perm   = SE->_permute;					\
-    LOAD_CHIMU(PERM);				\
+  if ( local ) {						\
-    PROJ;					\
+    LOAD_CHIMU(PERM);						\
-    if ( perm) {				\
+    PROJ;							\
-      PERMUTE_DIR(PERM);			\
+    if ( perm) {						\
-    }						\
+      PERMUTE_DIR(PERM);					\
-  } else if ( st.same_node[DIR] ) {		\
+    }								\
-    LOAD_CHI;					\
+  } else if ( st.same_node[DIR] ) {				\
-  }						\
+    LOAD_CHI;							\
-  acceleratorSynchronise();			\
+  }								\
-  if (local || st.same_node[DIR] ) {		\
+  acceleratorSynchronise();					\
-    MULT_2SPIN(DIR);				\
+  if (local || st.same_node[DIR] ) {				\
-    RECON;					\
+    MULT_2SPIN(DIR);						\
-  }						\
+    RECON;							\
-  acceleratorSynchronise();			
+  }								\
+  acceleratorSynchronise();			}
 
 #define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON)	\
-  SE=st.GetEntry(ptype,DIR,ss);			\
+  { int ptype;						\
-  offset = SE->_offset;				\
+  SE=st.GetEntry(ptype,DIR,ss);				\
-  if((!SE->_is_local)&&(!st.same_node[DIR]) ) {	\
+  auto offset = SE->_offset;				\
-    LOAD_CHI;					\
+  if((!SE->_is_local)&&(!st.same_node[DIR]) ) {		\
-    MULT_2SPIN(DIR);				\
+    LOAD_CHI;						\
-    RECON;					\
+    MULT_2SPIN(DIR);					\
-    nmu++;					\
+    RECON;						\
-  }						\
+    nmu++;						\
-  acceleratorSynchronise();			
+  }							\
+  acceleratorSynchronise();			}
 
-#define HAND_RESULT(ss)				\
+#define HAND_RESULT(ss)					\
-  {						\
+  {							\
-    SiteSpinor & ref (out[ss]);			\
+    SiteSpinor & ref (out[ss]);				\
     coalescedWrite(ref()(0)(0),result_00,lane);		\
     coalescedWrite(ref()(0)(1),result_01,lane);		\
     coalescedWrite(ref()(0)(2),result_02,lane);		\
@@ -563,7 +566,6 @@ WilsonKernels<Impl>::HandDhopSiteSycl(StencilVector st_perm,StencilEntry *st_p,
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
@@ -593,9 +595,7 @@ WilsonKernels<Impl>::HandDhopSite(StencilView &st, DoubledGaugeFieldView &U,Site
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
-
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
   HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
@@ -623,8 +623,6 @@ void WilsonKernels<Impl>::HandDhopSiteDag(StencilView &st,DoubledGaugeFieldView
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset,local,perm, ptype;
-  
   HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON);
   HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM);
   HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
@@ -640,8 +638,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -652,7 +650,6 @@ WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
-  int offset,local,perm, ptype;
   StencilEntry *SE;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM);
@@ -670,8 +667,8 @@ template<class Impl> accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -682,7 +679,6 @@ void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset,local,perm, ptype;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM);
   HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM);
@@ -699,8 +695,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -711,7 +707,7 @@ WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
-  int offset, ptype;
+  //  int offset, ptype;
   StencilEntry *SE;
   int nmu=0;
   ZERO_RESULT;
@@ -730,8 +726,8 @@ template<class Impl>  accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  auto st_p = st._entries_p;						
+  //  auto st_p = st._entries_p;						
-  auto st_perm = st._permute_type;					
+  //  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -742,7 +738,7 @@ void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  int offset, ptype;
+  //  int offset, ptype;
   int nmu=0;
   ZERO_RESULT;
   HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM);

Grid/qcd/action/fermion/instantiation/CompactWilsonCloverFermionInstantiation.cc.master

@@ -0,0 +1,41 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/ qcd/action/fermion/instantiation/CompactWilsonCloverFermionInstantiation.cc.master
+
+    Copyright (C) 2017 - 2022
+
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+    Author: Guido Cossu <guido.cossu@ed.ac.uk>
+    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
+
+    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/spin/Dirac.h>
+#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
+#include <Grid/qcd/action/fermion/implementation/CompactWilsonCloverFermionImplementation.h>
+
+NAMESPACE_BEGIN(Grid);
+
+#include "impl.h"
+template class CompactWilsonCloverFermion<IMPLEMENTATION>; 
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/instantiation/WilsonImplD/CompactWilsonCloverFermionInstantiationWilsonImplD.cc

@@ -0,0 +1 @@
+../CompactWilsonCloverFermionInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/WilsonImplF/CompactWilsonCloverFermionInstantiationWilsonImplF.cc

@@ -0,0 +1 @@
+../CompactWilsonCloverFermionInstantiation.cc.master

Grid/qcd/action/fermion/instantiation/generate_instantiations.sh

@@ -40,7 +40,7 @@ EOF
 
 done
 
-CC_LIST="WilsonCloverFermionInstantiation WilsonFermionInstantiation WilsonKernelsInstantiation WilsonTMFermionInstantiation"
+CC_LIST="WilsonCloverFermionInstantiation CompactWilsonCloverFermionInstantiation WilsonFermionInstantiation WilsonKernelsInstantiation WilsonTMFermionInstantiation"
 
 for impl in $WILSON_IMPL_LIST
 do

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 = 20 > class GaugeImplTypes {
+template <class S, int Nrepresentation = Nc, int Nexp = 12 > class GaugeImplTypes {
 public:
   typedef S Simd;
   typedef typename Simd::scalar_type scalar_type;
@@ -78,6 +78,8 @@ public:
   typedef Lattice<SiteLink>    LinkField; 
   typedef Lattice<SiteField>   Field;
 
+  typedef SU<Nrepresentation> Group;
+
   // Guido: we can probably separate the types from the HMC functions
   // this will create 2 kind of implementations
   // probably confusing the users
@@ -118,7 +120,7 @@ public:
     LinkField Pmu(P.Grid());
     Pmu = Zero();
     for (int mu = 0; mu < Nd; mu++) {
-      SU<Nrepresentation>::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
+      Group::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
       RealD scale = ::sqrt(HMC_MOMENTUM_DENOMINATOR) ;
       Pmu = Pmu*scale;
       PokeIndex<LorentzIndex>(P, Pmu, mu);
@@ -159,15 +161,15 @@ public:
   }
 
   static inline void HotConfiguration(GridParallelRNG &pRNG, Field &U) {
-    SU<Nc>::HotConfiguration(pRNG, U);
+    Group::HotConfiguration(pRNG, U);
   }
 
   static inline void TepidConfiguration(GridParallelRNG &pRNG, Field &U) {
-    SU<Nc>::TepidConfiguration(pRNG, U);
+    Group::TepidConfiguration(pRNG, U);
   }
 
   static inline void ColdConfiguration(GridParallelRNG &pRNG, Field &U) {
-    SU<Nc>::ColdConfiguration(pRNG, U);
+    Group::ColdConfiguration(pRNG, U);
   }
 };
 

Grid/qcd/action/gauge/GaugeImplementations.h

@@ -69,6 +69,11 @@ public:
     return PeriodicBC::ShiftStaple(Link,mu);
   }
 
+  //Same as Cshift for periodic BCs
+  static inline GaugeLinkField CshiftLink(const GaugeLinkField &Link, int mu, int shift){
+    return PeriodicBC::CshiftLink(Link,mu,shift);
+  }
+
   static inline bool isPeriodicGaugeField(void) { return true; }
 };
 
@@ -110,6 +115,11 @@ public:
       return PeriodicBC::CovShiftBackward(Link, mu, field);
   }
 
+  //If mu is a conjugate BC direction
+  //Out(x) = U^dag_\mu(x-mu)  | x_\mu != 0
+  //       = U^T_\mu(L-1)  | x_\mu == 0
+  //else
+  //Out(x) = U^dag_\mu(x-mu mod L)
   static inline GaugeLinkField
   CovShiftIdentityBackward(const GaugeLinkField &Link, int mu)
   {
@@ -129,6 +139,13 @@ public:
       return PeriodicBC::CovShiftIdentityForward(Link,mu);
   }
 
+
+  //If mu is a conjugate BC direction
+  //Out(x) = S_\mu(x+mu)  | x_\mu != L-1
+  //       = S*_\mu(x+mu)  | x_\mu == L-1
+  //else
+  //Out(x) = S_\mu(x+mu mod L)
+  //Note: While this is used for Staples it is also applicable for shifting gauge links or gauge transformation matrices
   static inline GaugeLinkField ShiftStaple(const GaugeLinkField &Link, int mu)
   {
     assert(_conjDirs.size() == Nd);
@@ -138,6 +155,27 @@ public:
       return PeriodicBC::ShiftStaple(Link,mu);
   }
 
+  //Boundary-aware C-shift of gauge links / gauge transformation matrices
+  //For conjugate BC direction
+  //shift = 1
+  //Out(x) = U_\mu(x+\hat\mu)  | x_\mu != L-1
+  //       = U*_\mu(0)  | x_\mu == L-1
+  //shift = -1
+  //Out(x) = U_\mu(x-mu)  | x_\mu != 0
+  //       = U*_\mu(L-1)  | x_\mu == 0
+  //else
+  //shift = 1
+  //Out(x) = U_\mu(x+\hat\mu mod L)
+  //shift = -1
+  //Out(x) = U_\mu(x-\hat\mu mod L)
+  static inline GaugeLinkField CshiftLink(const GaugeLinkField &Link, int mu, int shift){
+    assert(_conjDirs.size() == Nd);
+    if(_conjDirs[mu]) 
+      return ConjugateBC::CshiftLink(Link,mu,shift);
+    else     
+      return PeriodicBC::CshiftLink(Link,mu,shift);
+  }
+
   static inline void       setDirections(std::vector<int> &conjDirs) { _conjDirs=conjDirs; }
   static inline std::vector<int> getDirections(void) { return _conjDirs; }
   static inline bool isPeriodicGaugeField(void) { return false; }

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h

@@ -1,163 +0,0 @@
-/*************************************************************************************
-
-    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

@@ -1,158 +0,0 @@
-/*************************************************************************************
-
-    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

@@ -1,237 +0,0 @@
-/*************************************************************************************
-
-    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/ExactOneFlavourRatio.h

@@ -44,6 +44,10 @@ NAMESPACE_BEGIN(Grid);
   // Exact one flavour implementation of DWF determinant ratio //
   ///////////////////////////////////////////////////////////////
 
+  //Note: using mixed prec CG for the heatbath solver in this action class will not work
+  //      because the L, R operators must have their shift coefficients updated throughout the heatbath step
+  //      You will find that the heatbath solver simply won't converge.
+  //      To use mixed precision here use the ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction variant below
   template<class Impl>
   class ExactOneFlavourRatioPseudoFermionAction : public Action<typename Impl::GaugeField>
   {
@@ -57,37 +61,60 @@ NAMESPACE_BEGIN(Grid);
       bool use_heatbath_forecasting;
       AbstractEOFAFermion<Impl>& Lop; // the basic LH operator
       AbstractEOFAFermion<Impl>& Rop; // the basic RH operator
-      SchurRedBlackDiagMooeeSolve<FermionField> SolverHB;
+      SchurRedBlackDiagMooeeSolve<FermionField> SolverHBL;
+      SchurRedBlackDiagMooeeSolve<FermionField> SolverHBR;
       SchurRedBlackDiagMooeeSolve<FermionField> SolverL;
       SchurRedBlackDiagMooeeSolve<FermionField> SolverR;
       SchurRedBlackDiagMooeeSolve<FermionField> DerivativeSolverL;
       SchurRedBlackDiagMooeeSolve<FermionField> DerivativeSolverR;
       FermionField Phi; // the pseudofermion field for this trajectory
 
+      RealD norm2_eta; //|eta|^2 where eta is the random gaussian field used to generate the pseudofermion field
+      bool initial_action; //true for the first call to S after refresh, for which the identity S = |eta|^2 holds provided the rational approx is good
     public:
 
+      //Used in the heatbath, refresh the shift coefficients of the L (LorR=0) or R (LorR=1) operator
+      virtual void heatbathRefreshShiftCoefficients(int LorR, RealD to){
+	AbstractEOFAFermion<Impl>&op = LorR == 0 ? Lop : Rop;
+	op.RefreshShiftCoefficients(to);
+      }
+
+
+      //Use the same solver for L,R in all cases
       ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop, 
 					      AbstractEOFAFermion<Impl>& _Rop,
 					      OperatorFunction<FermionField>& CG, 
 					      Params& p, 
 					      bool use_fc=false) 
-	: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,CG,CG,CG,CG,CG,p,use_fc) {};
+	: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,CG,CG,CG,CG,CG,CG,p,use_fc) {};
-	
+
+      //Use the same solver for L,R in the heatbath but different solvers elsewhere
       ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop, 
 					      AbstractEOFAFermion<Impl>& _Rop,
-					      OperatorFunction<FermionField>& HeatbathCG, 
+					      OperatorFunction<FermionField>& HeatbathCG,
+					      OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR, 
+					      OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR, 
+					      Params& p, 
+					      bool use_fc=false)
+	: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,HeatbathCG,HeatbathCG, ActionCGL, ActionCGR, DerivCGL,DerivCGR,p,use_fc) {};
+
+      //Use different solvers for L,R in all cases
+      ExactOneFlavourRatioPseudoFermionAction(AbstractEOFAFermion<Impl>& _Lop, 
+					      AbstractEOFAFermion<Impl>& _Rop,
+					      OperatorFunction<FermionField>& HeatbathCGL, OperatorFunction<FermionField>& HeatbathCGR,
 					      OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR, 
 					      OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR, 
 					      Params& p, 
 					      bool use_fc=false) : 
         Lop(_Lop), 
 	Rop(_Rop), 
-	SolverHB(HeatbathCG,false,true),
+	SolverHBL(HeatbathCGL,false,true), SolverHBR(HeatbathCGR,false,true),
 	SolverL(ActionCGL, false, true), SolverR(ActionCGR, false, true), 
 	DerivativeSolverL(DerivCGL, false, true), DerivativeSolverR(DerivCGR, false, true), 
 	Phi(_Lop.FermionGrid()), 
 	param(p), 
-        use_heatbath_forecasting(use_fc)
+	use_heatbath_forecasting(use_fc),
+	initial_action(false)
       {
         AlgRemez remez(param.lo, param.hi, param.precision);
 
@@ -97,6 +124,8 @@ NAMESPACE_BEGIN(Grid);
         PowerNegHalf.Init(remez, param.tolerance, true);
       };
 
+      const FermionField &getPhi() const{ return Phi; }
+
       virtual std::string action_name() { return "ExactOneFlavourRatioPseudoFermionAction"; }
 
       virtual std::string LogParameters() {
@@ -117,6 +146,19 @@ NAMESPACE_BEGIN(Grid);
         else{ for(int s=0; s<Ls; ++s){ axpby_ssp_pminus(out, 0.0, in, 1.0, in, s, s); } }
       }
 
+      virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+        // P(eta_o) = e^{- eta_o^dag eta_o}
+        //
+        // e^{x^2/2 sig^2} => sig^2 = 0.5.
+        // 
+        RealD scale = std::sqrt(0.5);
+
+        FermionField eta    (Lop.FermionGrid());
+        gaussian(pRNG,eta); eta = eta * scale;
+
+	refresh(U,eta);
+      }
+
       // EOFA heatbath: see Eqn. (29) of arXiv:1706.05843
       // We generate a Gaussian noise vector \eta, and then compute
       //  \Phi = M_{\rm EOFA}^{-1/2} * \eta
@@ -124,12 +166,10 @@ NAMESPACE_BEGIN(Grid);
       //
       // As a check of rational require \Phi^dag M_{EOFA} \Phi == eta^dag M^-1/2^dag M M^-1/2 eta = eta^dag eta
       //
-      virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
+     void refresh(const GaugeField &U, const FermionField &eta) {
-      {
         Lop.ImportGauge(U);
         Rop.ImportGauge(U);
 
-        FermionField eta         (Lop.FermionGrid());
         FermionField CG_src      (Lop.FermionGrid());
         FermionField CG_soln     (Lop.FermionGrid());
         FermionField Forecast_src(Lop.FermionGrid());
@@ -140,11 +180,6 @@ NAMESPACE_BEGIN(Grid);
         if(use_heatbath_forecasting){ prev_solns.reserve(param.degree); }
         ChronoForecast<AbstractEOFAFermion<Impl>, FermionField> Forecast;
 
-        // Seed with Gaussian noise vector (var = 0.5)
-        RealD scale = std::sqrt(0.5);
-        gaussian(pRNG,eta);
-        eta = eta * scale;
-
         // \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
         RealD N(PowerNegHalf.norm);
         for(int k=0; k<param.degree; ++k){ N += PowerNegHalf.residues[k] / ( 1.0 + PowerNegHalf.poles[k] ); }
@@ -160,15 +195,16 @@ NAMESPACE_BEGIN(Grid);
         tmp[1] = Zero();
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-          Lop.RefreshShiftCoefficients(-gamma_l);
+          heatbathRefreshShiftCoefficients(0, -gamma_l);
+	  //Lop.RefreshShiftCoefficients(-gamma_l);
           if(use_heatbath_forecasting){ // Forecast CG guess using solutions from previous poles
             Lop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Lop, Forecast_src, prev_solns);
-            SolverHB(Lop, CG_src, CG_soln);
+            SolverHBL(Lop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero(); // Just use zero as the initial guess
-            SolverHB(Lop, CG_src, CG_soln);
+	    SolverHBL(Lop, CG_src, CG_soln);
           }
           Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
           tmp[1] = tmp[1] + ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Lop.k ) * tmp[0];
@@ -187,15 +223,16 @@ NAMESPACE_BEGIN(Grid);
         if(use_heatbath_forecasting){ prev_solns.clear(); } // empirically, LH solns don't help for RH solves
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-          Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
+	  heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
+          //Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
           if(use_heatbath_forecasting){
             Rop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Rop, Forecast_src, prev_solns);
-            SolverHB(Rop, CG_src, CG_soln);
+            SolverHBR(Rop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero();
-            SolverHB(Rop, CG_src, CG_soln);
+            SolverHBR(Rop, CG_src, CG_soln);
           }
           Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
           tmp[1] = tmp[1] - ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Rop.k ) * tmp[0];
@@ -205,49 +242,119 @@ NAMESPACE_BEGIN(Grid);
         Phi = Phi + tmp[1];
 
         // Reset shift coefficients for energy and force evals
-        Lop.RefreshShiftCoefficients(0.0);
+        //Lop.RefreshShiftCoefficients(0.0);
-        Rop.RefreshShiftCoefficients(-1.0);
+        //Rop.RefreshShiftCoefficients(-1.0);
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+
+	//Mark that the next call to S is the first after refresh
+	initial_action = true;
+
 
 	// Bounds check
 	RealD EtaDagEta = norm2(eta);
+	norm2_eta = EtaDagEta;
+
 	//	RealD PhiDagMPhi= norm2(eta);
 
       };
 
-      void Meofa(const GaugeField& U,const FermionField &phi, FermionField & Mphi) 
+      void Meofa(const GaugeField& U,const FermionField &in, FermionField & out) 
       {
-#if 0
         Lop.ImportGauge(U);
         Rop.ImportGauge(U);
 
-        FermionField spProj_Phi(Lop.FermionGrid());
+        FermionField spProj_in(Lop.FermionGrid());
-	FermionField mPhi(Lop.FermionGrid());
         std::vector<FermionField> tmp(2, Lop.FermionGrid());
-	mPhi = phi;
+	out = in;
 	
         // LH term: S = S - k <\Phi| P_{-} \Omega_{-}^{\dagger} H(mf)^{-1} \Omega_{-} P_{-} |\Phi>
-        spProj(Phi, spProj_Phi, -1, Lop.Ls);
+        spProj(in, spProj_in, -1, Lop.Ls);
-        Lop.Omega(spProj_Phi, tmp[0], -1, 0);
+        Lop.Omega(spProj_in, tmp[0], -1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverL(Lop, tmp[1], tmp[0]);
         Lop.Dtilde(tmp[0], tmp[1]); // We actually solved Cayley preconditioned system: transform back
         Lop.Omega(tmp[1], tmp[0], -1, 1);
-	mPhi = mPhi -  Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
+	spProj(tmp[0], tmp[1], -1, Lop.Ls);
+
+	out = out -  Lop.k * tmp[1];
 
         // RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
-        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
+        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
-        spProj(Phi, spProj_Phi, 1, Rop.Ls);
+        spProj(in, spProj_in, 1, Rop.Ls);
-        Rop.Omega(spProj_Phi, tmp[0], 1, 0);
+        Rop.Omega(spProj_in, tmp[0], 1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverR(Rop, tmp[1], tmp[0]);
         Rop.Dtilde(tmp[0], tmp[1]);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
-        action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
+	spProj(tmp[0], tmp[1], 1, Rop.Ls);
-#endif
+
+        out = out + Rop.k * tmp[1];
       }
 
+      //Due to the structure of EOFA, it is no more expensive to compute the inverse of Meofa
+      //To ensure correctness we can simply reuse the heatbath code but use the rational approx
+      //f(x) = 1/x   which corresponds to alpha_0=0,  alpha_1=1,  beta_1=0 => gamma_1=1
+      void MeofaInv(const GaugeField &U, const FermionField &in, FermionField &out) {
+        Lop.ImportGauge(U);
+        Rop.ImportGauge(U);
+
+        FermionField CG_src      (Lop.FermionGrid());
+        FermionField CG_soln     (Lop.FermionGrid());
+        std::vector<FermionField> tmp(2, Lop.FermionGrid());
+
+        // \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
+	// = 1 * \eta
+        out = in;
+
+        // LH terms:
+        // \Phi = \Phi + k \sum_{k=1}^{N_{p}} P_{-} \Omega_{-}^{\dagger} ( H(mf)
+        //          - \gamma_{l} \Delta_{-}(mf,mb) P_{-} )^{-1} \Omega_{-} P_{-} \eta
+        spProj(in, tmp[0], -1, Lop.Ls);
+        Lop.Omega(tmp[0], tmp[1], -1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+          heatbathRefreshShiftCoefficients(0, -1.); //-gamma_1 = -1.
+
+	  CG_soln = Zero(); // Just use zero as the initial guess
+	  SolverHBL(Lop, CG_src, CG_soln);
+
+          Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = Lop.k * tmp[0];
+        }
+        Lop.Omega(tmp[1], tmp[0], -1, 1);
+        spProj(tmp[0], tmp[1], -1, Lop.Ls);
+        out = out + tmp[1];
+
+        // RH terms:
+        // \Phi = \Phi - k \sum_{k=1}^{N_{p}} P_{+} \Omega_{+}^{\dagger} ( H(mb)
+        //          - \beta_l\gamma_{l} \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} \eta
+        spProj(in, tmp[0], 1, Rop.Ls);
+        Rop.Omega(tmp[0], tmp[1], 1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+	  heatbathRefreshShiftCoefficients(1, 0.); //-gamma_1 * beta_1 = 0
+
+	  CG_soln = Zero();
+	  SolverHBR(Rop, CG_src, CG_soln);
+
+          Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = - Rop.k * tmp[0];
+        }
+        Rop.Omega(tmp[1], tmp[0], 1, 1);
+        spProj(tmp[0], tmp[1], 1, Rop.Ls);
+        out = out + tmp[1];
+
+        // Reset shift coefficients for energy and force evals
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+      };
+
+
+
+
       // EOFA action: see Eqn. (10) of arXiv:1706.05843
       virtual RealD S(const GaugeField& U)
       {
@@ -271,7 +378,7 @@ NAMESPACE_BEGIN(Grid);
         action -= Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
 
         // RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
-        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
+        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
         spProj(Phi, spProj_Phi, 1, Rop.Ls);
         Rop.Omega(spProj_Phi, tmp[0], 1, 0);
         G5R5(tmp[1], tmp[0]);
@@ -281,6 +388,26 @@ NAMESPACE_BEGIN(Grid);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
         action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
 
+	if(initial_action){
+	  //For the first call to S after refresh,  S = |eta|^2. We can use this to ensure the rational approx is good
+	  RealD diff = action - norm2_eta;
+
+	  //S_init = eta^dag M^{-1/2} M M^{-1/2} eta
+	  //S_init - eta^dag eta =  eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta
+
+	  //If approximate solution
+	  //S_init - eta^dag eta =  eta^dag ( [M^{-1/2}+\delta M^{-1/2}] M [M^{-1/2}+\delta M^{-1/2}] - 1 ) eta
+	  //               \approx  eta^dag ( \delta M^{-1/2} M^{1/2} + M^{1/2}\delta M^{-1/2} ) eta
+	  // We divide out |eta|^2 to remove source scaling but the tolerance on this check should still be somewhat higher than the actual approx tolerance
+	  RealD test = fabs(diff)/norm2_eta; //test the quality of the rational approx
+
+	  std::cout << GridLogMessage << action_name() << " initial action " << action << " expect " << norm2_eta << "; diff " << diff << std::endl;
+	  std::cout << GridLogMessage << action_name() << "[ eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta ]/|eta^2| = " << test << "  expect 0 (tol " << param.BoundsCheckTol << ")" << std::endl;
+
+	  assert( ( test < param.BoundsCheckTol ) && " Initial action check failed" );
+	  initial_action = false;
+	}
+
         return action;
       };
 
@@ -329,6 +456,40 @@ NAMESPACE_BEGIN(Grid);
       };
   };
 
+  template<class ImplD, class ImplF>
+  class ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction : public ExactOneFlavourRatioPseudoFermionAction<ImplD>{
+  public:
+    INHERIT_IMPL_TYPES(ImplD);
+    typedef OneFlavourRationalParams Params;
+
+  private:
+    AbstractEOFAFermion<ImplF>& LopF; // the basic LH operator
+    AbstractEOFAFermion<ImplF>& RopF; // the basic RH operator
+
+  public:
+    
+    virtual std::string action_name() { return "ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction"; }
+    
+    //Used in the heatbath, refresh the shift coefficients of the L (LorR=0) or R (LorR=1) operator
+    virtual void heatbathRefreshShiftCoefficients(int LorR, RealD to){
+      AbstractEOFAFermion<ImplF> &op = LorR == 0 ? LopF : RopF;
+      op.RefreshShiftCoefficients(to);
+      this->ExactOneFlavourRatioPseudoFermionAction<ImplD>::heatbathRefreshShiftCoefficients(LorR,to);
+    }
+    
+    ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction(AbstractEOFAFermion<ImplF>& _LopF, 
+							     AbstractEOFAFermion<ImplF>& _RopF,
+							     AbstractEOFAFermion<ImplD>& _LopD, 
+							     AbstractEOFAFermion<ImplD>& _RopD,
+							     OperatorFunction<FermionField>& HeatbathCGL, OperatorFunction<FermionField>& HeatbathCGR,
+							     OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR, 
+							     OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR, 
+							     Params& p, 
+							     bool use_fc=false) : 
+    LopF(_LopF), RopF(_RopF), ExactOneFlavourRatioPseudoFermionAction<ImplD>(_LopD, _RopD, HeatbathCGL, HeatbathCGR, ActionCGL, ActionCGR, DerivCGL, DerivCGR, p, use_fc){}
+  };
+
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/pseudofermion/PseudoFermion.h

@@ -26,7 +26,8 @@ See the full license in the file "LICENSE" in the top level distribution
 directory
 *************************************************************************************/
 /*  END LEGAL */
-#pragma once
+#ifndef QCD_PSEUDOFERMION_AGGREGATE_H
+#define QCD_PSEUDOFERMION_AGGREGATE_H
 
 // Rational functions
 #include <Grid/qcd/action/pseudofermion/Bounds.h>
@@ -43,10 +44,5 @@ directory
 #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

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

Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h

@@ -50,8 +50,6 @@ 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, 
@@ -62,8 +60,7 @@ NAMESPACE_BEGIN(Grid);
       TwoFlavourEvenOddRatioPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
                                                 FermionOperator<Impl>  &_DenOp, 
                                                 OperatorFunction<FermionField> & DS,
-                                                OperatorFunction<FermionField> & AS,
+                                                OperatorFunction<FermionField> & AS, OperatorFunction<FermionField> & HS) :
-						OperatorFunction<FermionField> & HS) :
       NumOp(_NumOp), 
       DenOp(_DenOp), 
       DerivativeSolver(DS), 
@@ -86,6 +83,9 @@ NAMESPACE_BEGIN(Grid);
 	return sstream.str();
       } 
 
+      //Access the fermion field
+      const FermionField &getPhiOdd() const{ return PhiOdd; }
+
       virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
         // P(eta_o) = e^{- eta_o^dag eta_o}
         //
@@ -96,7 +96,6 @@ NAMESPACE_BEGIN(Grid);
         FermionField eta    (NumOp.FermionGrid());
         gaussian(pRNG,eta); eta = eta * scale;
 
-	refreshRestrict(eta); // Used by DDHMC
 	refresh(U,eta);
       }
 	
@@ -132,7 +131,6 @@ NAMESPACE_BEGIN(Grid);
 
         //PhiOdd =PhiOdd*scale;
         //PhiEven=PhiEven*scale;
-	std::cout << GridLogMessage<<" TwoFlavourEvenOddRatio Expect action to be "<<norm2(etaOdd) + norm2(etaEven)<<std::endl;
         
       };
 
@@ -167,8 +165,6 @@ NAMESPACE_BEGIN(Grid);
         DenOp.MooeeInvDag(X,Y);
         action = action + norm2(Y);
 
-	std::cout << GridLogMessage<<" TwoFlavourEvenOddRatio action is "<<action<<std::endl;
-
         return action;
       };
 
@@ -181,7 +177,7 @@ NAMESPACE_BEGIN(Grid);
 
         NumOp.ImportGauge(U);
         DenOp.ImportGauge(U);
-	
+
         SchurDifferentiableOperator<Impl> Mpc(DenOp);
         SchurDifferentiableOperator<Impl> Vpc(NumOp);
 
@@ -216,7 +212,7 @@ 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;
+	
   };
 
   //////////////////////////////////////////////////////
@@ -121,7 +121,6 @@ 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

@@ -1,197 +0,0 @@
-/*************************************************************************************
-
-    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

@@ -1,203 +0,0 @@
-/*************************************************************************************
-
-    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/hmc/GenericHMCrunner.h

@@ -151,12 +151,22 @@ public:
       Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
 						     Resources.GetSerialRNG(),
 						     Resources.GetParallelRNG());
+    } else if (Parameters.StartingType == "CheckpointStartReseed") {
+      // Same as CheckpointRestart but reseed the RNGs using the fixed integer seeding used for ColdStart and HotStart
+      // Useful for creating new evolution streams from an existing stream
+      
+      // WARNING: Unfortunately because the checkpointer doesn't presently allow us to separately restore the RNG and gauge fields we have to load
+      // an existing RNG checkpoint first; make sure one is available and named correctly
+      Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
+						     Resources.GetSerialRNG(),
+						     Resources.GetParallelRNG());
+      Resources.SeedFixedIntegers();      
     } else {
       // others
       std::cout << GridLogError << "Unrecognized StartingType\n";
       std::cout
 	<< GridLogError
-	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart, CheckpointStartReseed]\n";
       exit(1);
     }
   }
@@ -176,9 +186,6 @@ private:
     typedef IntegratorType<SmearingPolicy> TheIntegrator;
     TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
-    // Sets the momentum filter
-    MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
-
     Smearing.set_Field(U);
 
     HybridMonteCarlo<TheIntegrator> HMC(Parameters, MDynamics,

Grid/qcd/hmc/HMC.h

@@ -34,7 +34,6 @@ directory
 			    * @brief Classes for Hybrid Monte Carlo update
 			    *
 			    * @author Guido Cossu
-			    * @author Peter Boyle
 			    */
 			   //--------------------------------------------------------------------
 #pragma once
@@ -116,17 +115,22 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC
-    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
+              << "--------------------------------------------------\n";
-    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob
+              << "  Random = " << rn_test << "\n";
+    std::cout << GridLogHMC
+              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
       std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogHMC << "--------------------------------------------------\n";
+      std::cout << GridLogHMC
+                << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
       std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogHMC << "--------------------------------------------------\n";
+      std::cout << GridLogHMC
+                << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -135,68 +139,19 @@ private:
   // Evolution
   /////////////////////////////////////////////////////////
   RealD evolve_hmc_step(Field &U) {
+    TheIntegrator.refresh(U, sRNG, pRNG);  // set U and initialize P and phi's
 
-    GridBase *Grid = U.Grid();
+    RealD H0 = TheIntegrator.S(U);  // initial state action
-
-    //////////////////////////////////////////////////////////////////////////////////////////////////////
-    // 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 << 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;
@@ -208,16 +163,17 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
+
     std::cout.precision(15);
-
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1
-    std::cout << GridLogHMC << "--------------------------------------------------\n";
+	      << "  dH = " << H1 - H0 << "\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:
   /////////////////////////////////////////
@@ -239,11 +195,8 @@ 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 << GridLogHMC << "-- # Trajectory = " << traj << "\n";
-
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
       	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
@@ -263,10 +216,11 @@ public:
       if (accept)
         Ucur = Ucopy; 
       
+     
+      
       double t1=usecond();
       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;

Grid/qcd/hmc/HMCModules.h

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

Grid/qcd/hmc/HMCResourceManager.h

@@ -72,8 +72,6 @@ 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;
@@ -82,9 +80,6 @@ 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;
 
@@ -95,7 +90,6 @@ 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
@@ -107,7 +101,7 @@ class HMCResourceManager {
 
 
 public:
-  HMCResourceManager() : have_RNG(false), have_CheckPointer(false), have_Filter(false) {}
+  HMCResourceManager() : have_RNG(false), have_CheckPointer(false) {}
 
   template <class ReaderClass, class vector_type = vComplex >
   void initialize(ReaderClass &Read){
@@ -135,7 +129,6 @@ 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...
@@ -215,16 +208,6 @@ 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;

Grid/qcd/hmc/UsingHMC.md

@@ -1,61 +1,63 @@
-Using HMC in Grid version 0.5.1
+# Using HMC in Grid
 
-These are the instructions to use the Generalised HMC on Grid version 0.5.1.
+These are the instructions to use the Generalised HMC on Grid as of commit `749b802`.
-Disclaimer: GRID is still under active development so any information here can be changed in future releases.
+Disclaimer: Grid is still under active development so any information here can be changed in future releases.
 
 
-Command line options
+## Command line options
-===================
+
-(relevant file GenericHMCrunner.h)
+(relevant file `GenericHMCrunner.h`)
 The initial configuration can be changed at the command line using 
---StartType <your choice>
+`--StartingType STARTING_TYPE`, where `STARTING_TYPE` is one of
-valid choices, one among these
+`HotStart`, `ColdStart`, `TepidStart`, and `CheckpointStart`.
-HotStart, ColdStart, TepidStart, CheckpointStart
+Default: `--StartingType HotStart`
-default: HotStart
 
-example
+Example:
-./My_hmc_exec  --StartType HotStart
+```
+./My_hmc_exec  --StartingType HotStart
+```
 
-The CheckpointStart option uses the prefix for the configurations and rng seed files defined in your executable and the initial configuration is specified by
+The `CheckpointStart` option uses the prefix for the configurations and rng seed files defined in your executable and the initial configuration is specified by
---StartTrajectory <integer>
+`--StartingTrajectory STARTING_TRAJECTORY`, where `STARTING_TRAJECTORY` is an integer.
-default: 0
+Default: `--StartingTrajectory 0`
 
 The number of trajectories for a specific run are specified at command line by
---Trajectories <integer>
+`--Trajectories TRAJECTORIES`, where `TRAJECTORIES` is an integer.
-default: 1
+Default: `--Trajectories 1`
 
 The number of thermalization steps (i.e. steps when the Metropolis acceptance check is turned off) is specified by
---Thermalizations <integer>
+`--Thermalizations THERMALIZATIONS`, where `THERMALIZATIONS` is an integer.
-default: 10
+Default: `--Thermalizations 10`
-
 
 Any other parameter is defined in the source for the executable.
 
-HMC controls
+## HMC controls
-===========
 
 The lines 
 
+```
   std::vector<int> SerSeed({1, 2, 3, 4, 5});
   std::vector<int> ParSeed({6, 7, 8, 9, 10});
+```
 
 define the seeds for the serial and the parallel RNG.
 
 The line 
 
+```
   TheHMC.MDparameters.set(20, 1.0);// MDsteps, traj length
+```
 
 declares the number of molecular dynamics steps and the total trajectory length.
 
 
-Actions
+## Actions
-======
 
-Action names are defined in the file
+Action names are defined in the directory `Grid/qcd/action`.
-lib/qcd/Actions.h
 
-Gauge actions list:
+Gauge actions list (from `Grid/qcd/action/gauge/Gauge.h`):
 
+```
 WilsonGaugeActionR;
 WilsonGaugeActionF;
 WilsonGaugeActionD;
@@ -68,8 +70,9 @@ IwasakiGaugeActionD;
 SymanzikGaugeActionR;
 SymanzikGaugeActionF;
 SymanzikGaugeActionD;
+```
 
-
+```
 ConjugateWilsonGaugeActionR;
 ConjugateWilsonGaugeActionF;
 ConjugateWilsonGaugeActionD;
@@ -82,26 +85,23 @@ ConjugateIwasakiGaugeActionD;
 ConjugateSymanzikGaugeActionR;
 ConjugateSymanzikGaugeActionF;
 ConjugateSymanzikGaugeActionD;
+```
 
+Each of these action accepts one single parameter at creation time (beta).
+Example for creating a Symanzik action with beta=4.0
 
+```
+  SymanzikGaugeActionR(4.0)
+```
+
+Scalar actions list (from `Grid/qcd/action/scalar/Scalar.h`):
+
+```
 ScalarActionR;
 ScalarActionF;
 ScalarActionD;
+```
 
-
+The suffixes `R`, `F`, `D` in the action names refer to the `Real`
-each of these action accept one single parameter at creation time (beta).
+(the precision is defined at compile time by the `--enable-precision` flag in the configure),
-Example for creating a Symanzik action with beta=4.0
+`Float` and `Double`, that force the precision of the action to be 32, 64 bit respectively.
-
-	SymanzikGaugeActionR(4.0)
-
-The suffixes R,F,D in the action names refer to the Real
-(the precision is defined at compile time by the --enable-precision flag in the configure),
-Float and Double, that force the precision of the action to be 32, 64 bit respectively.
-
-
-
-
-
-
-
-

Grid/qcd/hmc/integrators/Integrator.h

@@ -33,6 +33,7 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
+#include "MomentumFilter.h"
 
 NAMESPACE_BEGIN(Grid);
 
@@ -66,7 +67,6 @@ public:
 template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
-
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
 
@@ -119,7 +119,6 @@ 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
@@ -131,45 +130,31 @@ 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();
 
-      DumpSliceNorm("force before filter",force,Nd-1);
+      Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
-      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 max_force_abs = std::sqrt(maxLocalNorm2(force));
-      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+      Real max_impulse_abs = max_force_abs * 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;
 
+      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << " Max force: " << max_force_abs << " Time step: " << ep << " Impulse average: " << impulse_abs << " Max impulse: " << max_impulse_abs << std::endl;
       Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;; 
       double end_full = usecond();
       double time_full  = (end_full - start_full) / 1e3;
       double time_force = (end_force - start_force) / 1e3;
       std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)"  << std::endl;
-
-      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) 
@@ -183,12 +168,8 @@ 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(MomFiltered, U, ep);
+    FieldImplementation::update_field(Mom, U, ep);
 
     // Update the smeared fields, can be implemented as observer
     Smearer.set_Field(U);
@@ -231,66 +212,6 @@ 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;
@@ -309,6 +230,7 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
+
   }
 
   void reverse_momenta()
@@ -333,15 +255,19 @@ public:
   void refresh(Field& U,  GridSerialRNG & sRNG, GridParallelRNG& pRNG) 
   {
     assert(P.Grid() == U.Grid());
-    std::cout << GridLogIntegrator << "Integrator refresh\n";
+    std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
 
+    std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
     FieldImplementation::generate_momenta(P, sRNG, pRNG);
 
     // Update the smeared fields, can be implemented as observer
     // necessary to keep the fields updated even after a reject
     // of the Metropolis
+    std::cout << GridLogIntegrator << "Updating smeared fields" << std::endl;
     Smearer.set_Field(U);
     // Set the (eventual) representations gauge fields
+
+    std::cout << GridLogIntegrator << "Updating representations" << std::endl;
     Representations.update(U);
 
     // The Smearer is attached to a pointer of the gauge field
@@ -351,19 +277,16 @@ 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 << GridLogIntegrator << "Refreshing integrator level " << level << " index " << actionID << std::endl;
-        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
@@ -398,9 +321,7 @@ 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/hmc/integrators/MomentumFilter.h

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

Grid/qcd/observables/topological_charge.h

@@ -99,7 +99,7 @@ public:
 	// using wilson flow by default here
 	WilsonFlow<PeriodicGimplR> WF(Pars.Smearing.steps, Pars.Smearing.step_size, Pars.Smearing.meas_interval);
 	WF.smear_adaptive(Usmear, U, Pars.Smearing.maxTau);
-	Real T0   = WF.energyDensityPlaquette(Usmear);
+	Real T0   = WF.energyDensityPlaquette(Pars.Smearing.maxTau, Usmear);
 	std::cout << GridLogMessage << std::setprecision(std::numeric_limits<Real>::digits10 + 1)
 		  << "T0                : [ " << traj << " ] "<< T0 << std::endl;
       }

Grid/qcd/smearing/WilsonFlow.h

@@ -7,6 +7,7 @@ Source file: ./lib/qcd/modules/plaquette.h
 Copyright (C) 2017
 
 Author: Guido Cossu <guido.cossu@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
@@ -33,28 +34,44 @@ NAMESPACE_BEGIN(Grid);
 
 template <class Gimpl>
 class WilsonFlow: public Smear<Gimpl>{
+public:
+  //Store generic measurements to take during smearing process using std::function
+  typedef std::function<void(int, RealD, const typename Gimpl::GaugeField &)> FunctionType;  //int: step,  RealD: flow time,  GaugeField : the gauge field
+  
+private:
   unsigned int Nstep;
-  unsigned int measure_interval;
+  RealD epsilon; //for regular smearing this is the time step, for adaptive it is the initial time step
-  mutable RealD epsilon, taus;
+ 
-
+  std::vector< std::pair<int, FunctionType> > functions; //The int maps to the measurement frequency
 
   mutable WilsonGaugeAction<Gimpl> SG;
 
-  void evolve_step(typename Gimpl::GaugeField&) const;
+  //Evolve the gauge field by 1 step and update tau
-  void evolve_step_adaptive(typename Gimpl::GaugeField&, RealD);
+  void evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const;
-  RealD tau(unsigned int t)const {return epsilon*(t+1.0); }
+  //Evolve the gauge field by 1 step and update tau and the current time step eps
+  void evolve_step_adaptive(typename Gimpl::GaugeField&U, RealD &tau, RealD &eps, RealD maxTau) const;
 
 public:
   INHERIT_GIMPL_TYPES(Gimpl)
 
+  void resetActions(){ functions.clear(); }
+
+  void addMeasurement(int meas_interval, FunctionType meas){ functions.push_back({meas_interval, meas}); }
+
+  //Set the class to perform the default measurements: 
+  //the plaquette energy density every step
+  //the plaquette topological charge every 'topq_meas_interval' steps
+  //and output to stdout
+  void setDefaultMeasurements(int topq_meas_interval = 1);
+
   explicit WilsonFlow(unsigned int Nstep, RealD epsilon, unsigned int interval = 1):
   Nstep(Nstep),
     epsilon(epsilon),
-    measure_interval(interval),
     SG(WilsonGaugeAction<Gimpl>(3.0)) {
     // WilsonGaugeAction with beta 3.0
     assert(epsilon > 0.0);
     LogMessage();
+    setDefaultMeasurements(interval);
   }
 
   void LogMessage() {
@@ -73,9 +90,29 @@ public:
     // undefined for WilsonFlow
   }
 
-  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau);
+  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau) const;
-  RealD energyDensityPlaquette(unsigned int step, const GaugeField& U) const;
+
-  RealD energyDensityPlaquette(const GaugeField& U) const;
+  //Compute t^2 <E(t)> for time t from the plaquette
+  static RealD energyDensityPlaquette(const RealD t, const GaugeField& U);
+
+  //Compute t^2 <E(t)> for time t from the 1x1 cloverleaf form
+  //t is the Wilson flow time
+  static RealD energyDensityCloverleaf(const RealD t, const GaugeField& U);
+  
+  //Evolve the gauge field by Nstep steps of epsilon and return the energy density computed every interval steps
+  //The smeared field is output as V
+  std::vector<RealD> flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval = 1);
+
+  //Version that does not return the smeared field
+  std::vector<RealD> flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval = 1);
+
+
+  //Evolve the gauge field by Nstep steps of epsilon and return the Cloverleaf energy density computed every interval steps
+  //The smeared field is output as V
+  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval = 1);
+
+  //Version that does not return the smeared field
+  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval = 1);
 };
 
 
@@ -83,7 +120,7 @@ public:
 // Implementations
 ////////////////////////////////////////////////////////////////////////////////
 template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U) const{
+void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const{
   GaugeField Z(U.Grid());
   GaugeField tmp(U.Grid());
   SG.deriv(U, Z);
@@ -99,12 +136,13 @@ void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U) const{
   SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
   Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
   Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
+  tau += epsilon;
 }
 
 template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD maxTau) {
+void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD &tau, RealD &eps, RealD maxTau) const{
-  if (maxTau - taus < epsilon){
+  if (maxTau - tau < eps){
-    epsilon = maxTau-taus;
+    eps = maxTau-tau;
   }
   //std::cout << GridLogMessage << "Integration epsilon : " << epsilon << std::endl;
   GaugeField Z(U.Grid());
@@ -114,95 +152,151 @@ void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, Real
   SG.deriv(U, Z);
   Zprime = -Z;
   Z *= 0.25;                                  // Z0 = 1/4 * F(U)
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U = W1 = exp(ep*Z0)*W0
+  Gimpl::update_field(Z, U, -2.0*eps);    // U = W1 = exp(ep*Z0)*W0
 
   Z *= -17.0/8.0;
   SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
   Zprime += 2.0*tmp;
   Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U_= W2 = exp(ep*Z)*W1
+  Gimpl::update_field(Z, U, -2.0*eps);    // U_= W2 = exp(ep*Z)*W1
     
 
   Z *= -4.0/3.0;
   SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
   Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
+  Gimpl::update_field(Z, U, -2.0*eps);    // V(t+e) = exp(ep*Z)*W2
 
   // Ramos 
-  Gimpl::update_field(Zprime, Uprime, -2.0*epsilon); // V'(t+e) = exp(ep*Z')*W0
+  Gimpl::update_field(Zprime, Uprime, -2.0*eps); // V'(t+e) = exp(ep*Z')*W0
   // Compute distance as norm^2 of the difference
   GaugeField diffU = U - Uprime;
   RealD diff = norm2(diffU);
   // adjust integration step
     
-  taus += epsilon;
+  tau += eps;
   //std::cout << GridLogMessage << "Adjusting integration step with distance: " << diff << std::endl;
     
-  epsilon = epsilon*0.95*std::pow(1e-4/diff,1./3.);
+  eps = eps*0.95*std::pow(1e-4/diff,1./3.);
   //std::cout << GridLogMessage << "New epsilon : " << epsilon << std::endl;
 
 }
 
+
 template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityPlaquette(unsigned int step, const GaugeField& U) const {
+RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const RealD t, const GaugeField& U){
-  RealD td = tau(step);
+  static WilsonGaugeAction<Gimpl> SG(3.0);
-  return 2.0 * td * td * SG.S(U)/U.Grid()->gSites();
+  return 2.0 * t * t * SG.S(U)/U.Grid()->gSites();
+}
+
+//Compute t^2 <E(t)> for time from the 1x1 cloverleaf form
+template <class Gimpl>
+RealD WilsonFlow<Gimpl>::energyDensityCloverleaf(const RealD t, const GaugeField& U){
+  typedef typename Gimpl::GaugeLinkField GaugeMat;
+  typedef typename Gimpl::GaugeField GaugeLorentz;
+
+  assert(Nd == 4);
+  //E = 1/2 tr( F_munu F_munu )
+  //However as  F_numu = -F_munu, only need to sum the trace of the squares of the following 6 field strengths:
+  //F_01 F_02 F_03   F_12 F_13  F_23
+  GaugeMat F(U.Grid());
+  LatticeComplexD R(U.Grid());
+  R = Zero();
+  
+  for(int mu=0;mu<3;mu++){
+    for(int nu=mu+1;nu<4;nu++){
+      WilsonLoops<Gimpl>::FieldStrength(F, U, mu, nu);
+      R = R + trace(F*F);
+    }
+  }
+  ComplexD out = sum(R);
+  out = t*t*out / RealD(U.Grid()->gSites());
+  return -real(out); //minus sign necessary for +ve energy
+}
+
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval){
+  std::vector<RealD> out;
+  resetActions();
+  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
+      std::cout << GridLogMessage << "[WilsonFlow] Computing plaquette energy density for step " << step << std::endl;
+      out.push_back( energyDensityPlaquette(t,U) );
+    });      
+  smear(V,U);
+  return out;
 }
 
 template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const GaugeField& U) const {
+std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval){
-  return 2.0 * taus * taus * SG.S(U)/U.Grid()->gSites();
+  GaugeField V(U);
+  return flowMeasureEnergyDensityPlaquette(V,U, measure_interval);
 }
 
+template <class Gimpl>
+std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval){
+  std::vector<RealD> out;
+  resetActions();
+  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
+      std::cout << GridLogMessage << "[WilsonFlow] Computing Cloverleaf energy density for step " << step << std::endl;
+      out.push_back( energyDensityCloverleaf(t,U) );
+    });      
+  smear(V,U);
+  return out;
+}
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval){
+  GaugeField V(U);
+  return flowMeasureEnergyDensityCloverleaf(V,U, measure_interval);
+}
+
+
 
 //#define WF_TIMING 
-
-
-
 template <class Gimpl>
-void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const {
+void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const{
   out = in;
-  for (unsigned int step = 1; step <= Nstep; step++) {
+  RealD taus = 0.;
+  for (unsigned int step = 1; step <= Nstep; step++) { //step indicates the number of smearing steps applied at the time of measurement
     auto start = std::chrono::high_resolution_clock::now();
-    evolve_step(out);
+    evolve_step(out, taus);
     auto end = std::chrono::high_resolution_clock::now();
     std::chrono::duration<double> diff = end - start;
 #ifdef WF_TIMING
     std::cout << "Time to evolve " << diff.count() << " s\n";
 #endif
-    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+    //Perform measurements
-		  << step << "  " << tau(step) << "  " 
+    for(auto const &meas : functions)
-	      << energyDensityPlaquette(step,out) << std::endl;
+      if( step % meas.first == 0 ) meas.second(step,taus,out);
-    if( step % measure_interval == 0){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
-    }
   }
 }
 
 template <class Gimpl>
-void WilsonFlow<Gimpl>::smear_adaptive(GaugeField& out, const GaugeField& in, RealD maxTau){
+void WilsonFlow<Gimpl>::smear_adaptive(GaugeField& out, const GaugeField& in, RealD maxTau) const{
   out = in;
-  taus = epsilon;
+  RealD taus = 0.;
+  RealD eps = epsilon;
   unsigned int step = 0;
   do{
     step++;
     //std::cout << GridLogMessage << "Evolution time :"<< taus << std::endl;
-    evolve_step_adaptive(out, maxTau);
+    evolve_step_adaptive(out, taus, eps, maxTau);
-    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+    //Perform measurements
-		  << step << "  " << taus << "  "
+    for(auto const &meas : functions)
-	      << energyDensityPlaquette(out) << std::endl;
+      if( step % meas.first == 0 ) meas.second(step,taus,out);
-    if( step % measure_interval == 0){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
-    }
   } while (taus < maxTau);
-
-
-
 }
 
+template <class Gimpl>
+void WilsonFlow<Gimpl>::setDefaultMeasurements(int topq_meas_interval){
+  addMeasurement(1, [](int step, RealD t, const typename Gimpl::GaugeField &U){
+      std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "  << step << "  " << t << "  " << energyDensityPlaquette(t,U) << std::endl;
+    });
+  addMeasurement(topq_meas_interval, [](int step, RealD t, const typename Gimpl::GaugeField &U){
+      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "  << step << "  " << WilsonLoops<Gimpl>::TopologicalCharge(U) << std::endl;
+    });
+}
+
+
 NAMESPACE_END(Grid);
 

Grid/qcd/utils/CovariantCshift.h

@@ -88,6 +88,12 @@ namespace PeriodicBC {
     return CovShiftBackward(Link,mu,arg);
   }
 
+  //Boundary-aware C-shift of gauge links / gauge transformation matrices
+  template<class gauge> Lattice<gauge>
+  CshiftLink(const Lattice<gauge> &Link, int mu, int shift)
+  {
+    return Cshift(Link, mu, shift);
+  }
 
 }
 
@@ -158,6 +164,9 @@ namespace ConjugateBC {
     //    std::cout<<"Gparity::CovCshiftBackward mu="<<mu<<std::endl;
     return Cshift(tmp,mu,-1);// moves towards positive mu
   }
+
+  //Out(x) = U^dag_\mu(x-mu)  | x_\mu != 0
+  //       = U^T_\mu(L-1)  | x_\mu == 0
   template<class gauge> Lattice<gauge>
   CovShiftIdentityBackward(const Lattice<gauge> &Link, int mu) {
     GridBase *grid = Link.Grid();
@@ -176,13 +185,16 @@ namespace ConjugateBC {
     return Link;
   }
 
+  //Out(x) = S_\mu(x+\hat\mu)  | x_\mu != L-1
+  //       = S*_\mu(0)  | x_\mu == L-1
+  //Note: While this is used for Staples it is also applicable for shifting gauge links or gauge transformation matrices
   template<class gauge> Lattice<gauge>
   ShiftStaple(const Lattice<gauge> &Link, int mu)
   {
     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);
@@ -208,6 +220,35 @@ namespace ConjugateBC {
     return CovShiftBackward(Link,mu,arg);
   }
 
+  //Boundary-aware C-shift of gauge links / gauge transformation matrices
+  //shift = 1
+  //Out(x) = U_\mu(x+\hat\mu)  | x_\mu != L-1
+  //       = U*_\mu(0)  | x_\mu == L-1
+  //shift = -1
+  //Out(x) = U_\mu(x-mu)  | x_\mu != 0
+  //       = U*_\mu(L-1)  | x_\mu == 0
+  template<class gauge> Lattice<gauge>
+  CshiftLink(const Lattice<gauge> &Link, int mu, int shift)
+  {
+    GridBase *grid = Link.Grid();
+    int Lmu = grid->GlobalDimensions()[mu] - 1;
+
+    Lattice<iScalar<vInteger>> coor(grid);
+    LatticeCoordinate(coor, mu);
+
+    Lattice<gauge> tmp(grid);
+    if(shift == 1){
+      tmp = Cshift(Link, mu, 1);
+      tmp = where(coor == Lmu, conjugate(tmp), tmp);
+      return tmp;
+    }else if(shift == -1){
+      tmp = Link;
+      tmp = where(coor == Lmu, conjugate(tmp), tmp);
+      return Cshift(tmp, mu, -1);
+    }else assert(0 && "Invalid shift value");
+    return tmp; //shuts up the compiler fussing about the return type
+  }
+
 }
 
 

Grid/qcd/utils/GaugeFix.h

@@ -40,27 +40,46 @@ public:
   typedef typename Gimpl::GaugeLinkField GaugeMat;
   typedef typename Gimpl::GaugeField GaugeLorentz;
 
-  static void GaugeLinkToLieAlgebraField(const std::vector<GaugeMat> &U,std::vector<GaugeMat> &A) {
+  //A_\mu(x) = -i Ta(U_\mu(x) )   where Ta(U) = 1/2( U - U^dag ) - 1/2N tr(U - U^dag)  is the traceless antihermitian part. This is an O(A^3) approximation to the logarithm of U
-    for(int mu=0;mu<Nd;mu++){
+  static void GaugeLinkToLieAlgebraField(const GaugeMat &U, GaugeMat &A) {
-      Complex cmi(0.0,-1.0);
+    Complex cmi(0.0,-1.0);
-      A[mu] = Ta(U[mu]) * cmi;
+    A = Ta(U) * cmi;
-    }
   }
-  static void DmuAmu(const std::vector<GaugeMat> &A,GaugeMat &dmuAmu,int orthog) {
+  
+  //The derivative of the Lie algebra field
+  static void DmuAmu(const std::vector<GaugeMat> &U, GaugeMat &dmuAmu,int orthog) {
+    GridBase* grid = U[0].Grid();
+    GaugeMat Ax(grid);
+    GaugeMat Axm1(grid);
+    GaugeMat Utmp(grid);
+
     dmuAmu=Zero();
     for(int mu=0;mu<Nd;mu++){
       if ( mu != orthog ) {
-	dmuAmu = dmuAmu + A[mu] - Cshift(A[mu],mu,-1);
+	//Rather than define functionality to work out how the BCs apply to A_\mu we simply use the BC-aware Cshift to the gauge links and compute A_\mu(x) and A_\mu(x-1) separately
+	//Ax = A_\mu(x)
+	GaugeLinkToLieAlgebraField(U[mu], Ax);
+	
+	//Axm1 = A_\mu(x_\mu-1)
+	Utmp = Gimpl::CshiftLink(U[mu], mu, -1);
+	GaugeLinkToLieAlgebraField(Utmp, Axm1);
+	
+	//Derivative
+	dmuAmu = dmuAmu + Ax - Axm1;
       }
     }
   }  
 
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
+  //Fix the gauge field Umu
+  //0 < alpha < 1 is related to the step size, cf https://arxiv.org/pdf/1405.5812.pdf
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu, Real alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
     GridBase *grid = Umu.Grid();
     GaugeMat xform(grid);
     SteepestDescentGaugeFix(Umu,xform,alpha,maxiter,Omega_tol,Phi_tol,Fourier,orthog);
   }
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
+
+  //Fix the gauge field Umu and also return the gauge transformation from the original gauge field, xform
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform, Real alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1) {
 
     GridBase *grid = Umu.Grid();
 
@@ -122,27 +141,24 @@ public:
 
       }
     }
+    assert(0 && "Gauge fixing did not converge within the specified number of iterations");
   };
-  static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu,int orthog) {
+  static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform, Real alpha, GaugeMat & dmuAmu,int orthog) {
     GridBase *grid = U[0].Grid();
 
-    std::vector<GaugeMat> A(Nd,grid);
     GaugeMat g(grid);
-
+    ExpiAlphaDmuAmu(U,g,alpha,dmuAmu,orthog);
-    GaugeLinkToLieAlgebraField(U,A);
-    ExpiAlphaDmuAmu(A,g,alpha,dmuAmu,orthog);
-
 
     Real vol = grid->gSites();
     Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
 
     xform = g*xform ;
-    SU<Nc>::GaugeTransform(U,g);
+    SU<Nc>::GaugeTransform<Gimpl>(U,g);
 
     return trG;
   }
 
-  static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu,int orthog) {
+  static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform, Real alpha, GaugeMat & dmuAmu,int orthog) {
 
     GridBase *grid = U[0].Grid();
 
@@ -157,11 +173,7 @@ public:
 
     GaugeMat g(grid);
     GaugeMat dmuAmu_p(grid);
-    std::vector<GaugeMat> A(Nd,grid);
+    DmuAmu(U,dmuAmu,orthog);
-
-    GaugeLinkToLieAlgebraField(U,A);
-
-    DmuAmu(A,dmuAmu,orthog);
 
     std::vector<int> mask(Nd,1);
     for(int mu=0;mu<Nd;mu++) if (mu==orthog) mask[mu]=0;
@@ -205,16 +217,16 @@ public:
     Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
 
     xform = g*xform ;
-    SU<Nc>::GaugeTransform(U,g);
+    SU<Nc>::GaugeTransform<Gimpl>(U,g);
 
     return trG;
   }
 
-  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &A,GaugeMat &g,Real & alpha, GaugeMat &dmuAmu,int orthog) {
+  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &U,GaugeMat &g, Real alpha, GaugeMat &dmuAmu,int orthog) {
     GridBase *grid = g.Grid();
     Complex cialpha(0.0,-alpha);
     GaugeMat ciadmam(grid);
-    DmuAmu(A,dmuAmu,orthog);
+    DmuAmu(U,dmuAmu,orthog);
     ciadmam = dmuAmu*cialpha;
     SU<Nc>::taExp(ciadmam,g);
   }  

Grid/qcd/utils/MixedPrecisionOperatorFunction.h

@@ -1,111 +0,0 @@
-/*************************************************************************************
-
-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/qcd/utils/SUn.h

@@ -694,32 +694,32 @@ public:
  * Adjoint rep gauge xform
  */
 
-  template<typename GaugeField,typename GaugeMat>
+  template<typename Gimpl>
-  static void GaugeTransform( GaugeField &Umu, GaugeMat &g){
+  static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
     GridBase *grid = Umu.Grid();
     conformable(grid,g.Grid());
 
-    GaugeMat U(grid);
+    typename Gimpl::GaugeLinkField U(grid);
-    GaugeMat ag(grid); ag = adj(g);
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
 
     for(int mu=0;mu<Nd;mu++){
       U= PeekIndex<LorentzIndex>(Umu,mu);
-      U = g*U*Cshift(ag, mu, 1);
+      U = g*U*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
       PokeIndex<LorentzIndex>(Umu,U,mu);
     }
   }
-  template<typename GaugeMat>
+  template<typename Gimpl>
-  static void GaugeTransform( std::vector<GaugeMat> &U, GaugeMat &g){
+  static void GaugeTransform( std::vector<typename Gimpl::GaugeLinkField> &U, typename Gimpl::GaugeLinkField &g){
     GridBase *grid = g.Grid();
-    GaugeMat ag(grid); ag = adj(g);
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
     for(int mu=0;mu<Nd;mu++){
-      U[mu] = g*U[mu]*Cshift(ag, mu, 1);
+      U[mu] = g*U[mu]*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
     }
   }
-  template<typename GaugeField,typename GaugeMat>
+  template<typename Gimpl>
-  static void RandomGaugeTransform(GridParallelRNG &pRNG, GaugeField &Umu, GaugeMat &g){
+  static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
     LieRandomize(pRNG,g,1.0);
-    GaugeTransform(Umu,g);
+    GaugeTransform<Gimpl>(Umu,g);
   }
 
   // Projects the algebra components a lattice matrix (of dimension ncol*ncol -1 )

Grid/qcd/utils/WilsonLoops.h

@@ -125,6 +125,56 @@ public:
     return sumplaq / vol / faces / Nc; // Nd , Nc dependent... FIXME
   }
 
+  //////////////////////////////////////////////////
+  // sum over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static void siteSpatialPlaquette(ComplexField &Plaq,
+                            const std::vector<GaugeMat> &U) {
+    ComplexField sitePlaq(U[0].Grid());
+    Plaq = Zero();
+    for (int mu = 1; mu < Nd-1; mu++) {
+      for (int nu = 0; nu < mu; nu++) {
+        traceDirPlaquette(sitePlaq, U, mu, nu);
+        Plaq = Plaq + sitePlaq;
+      }
+    }
+  }
+
+  ////////////////////////////////////
+  // sum over all x,y,z and over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static std::vector<RealD> timesliceSumSpatialPlaquette(const GaugeLorentz &Umu) {
+    std::vector<GaugeMat> U(Nd, Umu.Grid());
+    // inefficient here
+    for (int mu = 0; mu < Nd; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    ComplexField Plaq(Umu.Grid());
+
+    siteSpatialPlaquette(Plaq, U);
+    typedef typename ComplexField::scalar_object sobj;
+    std::vector<sobj> Tq;
+    sliceSum(Plaq, Tq, Nd-1);
+
+    std::vector<Real> out(Tq.size());
+    for(int t=0;t<Tq.size();t++) out[t] = TensorRemove(Tq[t]).real();
+    return out;
+  }
+  
+  //////////////////////////////////////////////////
+  // average over all x,y,z and over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static std::vector<RealD> timesliceAvgSpatialPlaquette(const GaugeLorentz &Umu) {
+    std::vector<RealD> sumplaq = timesliceSumSpatialPlaquette(Umu);
+    int Lt = Umu.Grid()->FullDimensions()[Nd-1];
+    assert(sumplaq.size() == Lt);
+    double vol = Umu.Grid()->gSites() / Lt;
+    double faces = (1.0 * (Nd - 1)* (Nd - 2)) / 2.0;
+    for(int t=0;t<Lt;t++)
+      sumplaq[t] = sumplaq[t] / vol / faces / Nc; // Nd , Nc dependent... FIXME
+    return sumplaq;
+  }
 
   //////////////////////////////////////////////////
   // average over all x,y,z the temporal loop
@@ -363,11 +413,11 @@ public:
     GaugeMat u = PeekIndex<LorentzIndex>(Umu, mu);  // some redundant copies
     GaugeMat vu = v*u;
       //FS = 0.25*Ta(u*v + Cshift(vu, mu, -1));
-      FS = (u*v + Cshift(vu, mu, -1));
+      FS = (u*v + Gimpl::CshiftLink(vu, mu, -1));
       FS = 0.125*(FS - adj(FS));
   }
 
-  static Real TopologicalCharge(GaugeLorentz &U){
+  static Real TopologicalCharge(const GaugeLorentz &U){
     // 4d topological charge
     assert(Nd==4);
     // Bx = -iF(y,z), By = -iF(z,y), Bz = -iF(x,y)
@@ -390,6 +440,203 @@ public:
   }
 
 
+  //Clover-leaf Wilson loop combination for arbitrary mu-extent M and nu extent N,  mu >= nu
+  //cf  https://arxiv.org/pdf/hep-lat/9701012.pdf Eq 7  for 1x2 Wilson loop    
+  //Clockwise ordering
+  static void CloverleafMxN(GaugeMat &FS, const GaugeMat &Umu, const GaugeMat &Unu, int mu, int nu, int M, int N){  
+#define Fmu(A) Gimpl::CovShiftForward(Umu, mu, A)
+#define Bmu(A) Gimpl::CovShiftBackward(Umu, mu, A)
+#define Fnu(A) Gimpl::CovShiftForward(Unu, nu, A)
+#define Bnu(A) Gimpl::CovShiftBackward(Unu, nu, A)
+#define FmuI Gimpl::CovShiftIdentityForward(Umu, mu)
+#define BmuI Gimpl::CovShiftIdentityBackward(Umu, mu)
+#define FnuI Gimpl::CovShiftIdentityForward(Unu, nu)
+#define BnuI Gimpl::CovShiftIdentityBackward(Unu, nu)
+
+    //Upper right loop
+    GaugeMat tmp = BmuI;
+    for(int i=1;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+      
+    FS = tmp;
+
+    //Upper left loop
+    tmp = BnuI;
+    for(int j=1;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+      
+    FS = FS + tmp;
+
+    //Lower right loop
+    tmp = FnuI;
+    for(int j=1;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+      
+    FS = FS + tmp;
+
+    //Lower left loop
+    tmp = FmuI;
+    for(int i=1;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+
+    FS = FS + tmp;
+
+#undef Fmu
+#undef Bmu
+#undef Fnu
+#undef Bnu
+#undef FmuI
+#undef BmuI
+#undef FnuI
+#undef BnuI
+  }
+
+  //Field strength from MxN Wilson loop
+  //Note F_numu = - F_munu
+  static void FieldStrengthMxN(GaugeMat &FS, const GaugeLorentz &U, int mu, int nu, int M, int N){  
+    GaugeMat Umu = PeekIndex<LorentzIndex>(U, mu);
+    GaugeMat Unu = PeekIndex<LorentzIndex>(U, nu);
+    if(M == N){
+      GaugeMat F(Umu.Grid());
+      CloverleafMxN(F, Umu, Unu, mu, nu, M, N);
+      FS = 0.125 * ( F - adj(F) );
+    }else{
+      //Average over both orientations
+      GaugeMat horizontal(Umu.Grid()), vertical(Umu.Grid());
+      CloverleafMxN(horizontal, Umu, Unu, mu, nu, M, N);
+      CloverleafMxN(vertical, Umu, Unu, mu, nu, N, M);
+      FS = 0.0625 * ( horizontal - adj(horizontal) + vertical - adj(vertical) );
+    }
+  }
+
+  //Topological charge contribution from MxN Wilson loops
+  //cf  https://arxiv.org/pdf/hep-lat/9701012.pdf  Eq 6
+  //output is the charge by timeslice: sum over timeslices to obtain the total
+  static std::vector<Real> TimesliceTopologicalChargeMxN(const GaugeLorentz &U, int M, int N){
+    assert(Nd == 4);
+    std::vector<std::vector<GaugeMat*> > F(Nd,std::vector<GaugeMat*>(Nd,nullptr));
+    //Note F_numu = - F_munu
+    //hence we only need to loop over mu,nu,rho,sigma that aren't related by permuting mu,nu  or rho,sigma
+    //Use nu > mu
+    for(int mu=0;mu<Nd-1;mu++){
+      for(int nu=mu+1; nu<Nd; nu++){
+	F[mu][nu] = new GaugeMat(U.Grid());
+	FieldStrengthMxN(*F[mu][nu], U, mu, nu, M, N);
+      }
+    }
+    Real coeff = -1./(32 * M_PI*M_PI * M*M * N*N); //overall sign to match CPS and Grid conventions, possibly related to time direction = 3 vs 0
+
+    static const int combs[3][4] = { {0,1,2,3}, {0,2,1,3}, {0,3,1,2} };
+    static const int signs[3] = { 1, -1, 1 }; //epsilon_{mu nu rho sigma}
+
+    ComplexField fsum(U.Grid());
+    fsum = Zero();
+    for(int c=0;c<3;c++){
+      int mu = combs[c][0], nu = combs[c][1], rho = combs[c][2], sigma = combs[c][3];
+      int eps = signs[c];
+      fsum = fsum + (8. * coeff * eps) * trace( (*F[mu][nu]) * (*F[rho][sigma]) ); 
+    }
+
+    for(int mu=0;mu<Nd-1;mu++)
+      for(int nu=mu+1; nu<Nd; nu++)
+	delete F[mu][nu];
+    
+    typedef typename ComplexField::scalar_object sobj;
+    std::vector<sobj> Tq;
+    sliceSum(fsum, Tq, Nd-1);
+
+    std::vector<Real> out(Tq.size());
+    for(int t=0;t<Tq.size();t++) out[t] = TensorRemove(Tq[t]).real();
+    return out;
+  }
+  static Real TopologicalChargeMxN(const GaugeLorentz &U, int M, int N){
+    std::vector<Real> Tq = TimesliceTopologicalChargeMxN(U,M,N);
+    Real out(0);
+    for(int t=0;t<Tq.size();t++) out += Tq[t];
+    return out;
+  }
+
+  //Generate the contributions to the 5Li topological charge from Wilson loops of the following sizes
+  //Use coefficients from hep-lat/9701012
+  //1x1 : c1=(19.-55.*c5)/9.
+  //2x2 : c2=(1-64.*c5)/9.
+  //1x2 : c3=(-64.+640.*c5)/45.
+  //1x3 : c4=1./5.-2.*c5
+  //3x3 : c5=1./20.
+  //Output array outer index contains the loops in the above order
+  //Inner index is the time coordinate
+  static std::vector<std::vector<Real> > TimesliceTopologicalCharge5LiContributions(const GaugeLorentz &U){
+    static const int exts[5][2] = { {1,1}, {2,2}, {1,2}, {1,3}, {3,3} };       
+    std::vector<std::vector<Real> > out(5);
+    for(int i=0;i<5;i++){	
+      out[i] = TimesliceTopologicalChargeMxN(U,exts[i][0],exts[i][1]);
+    }
+    return out;
+  }   
+
+  static std::vector<Real> TopologicalCharge5LiContributions(const GaugeLorentz &U){   
+    static const int exts[5][2] = { {1,1}, {2,2}, {1,2}, {1,3}, {3,3} };
+    std::vector<Real> out(5);
+    std::cout << GridLogMessage << "Computing topological charge" << std::endl;
+    for(int i=0;i<5;i++){
+      out[i] = TopologicalChargeMxN(U,exts[i][0],exts[i][1]);
+      std::cout << GridLogMessage << exts[i][0] << "x" << exts[i][1] << " Wilson loop contribution " << out[i] << std::endl;
+    }
+    return out;
+  }
+
+  //Compute the 5Li topological charge
+  static std::vector<Real> TimesliceTopologicalCharge5Li(const GaugeLorentz &U){
+    std::vector<std::vector<Real> > loops = TimesliceTopologicalCharge5LiContributions(U);
+
+    double c5=1./20.;
+    double c4=1./5.-2.*c5;
+    double c3=(-64.+640.*c5)/45.;
+    double c2=(1-64.*c5)/9.;
+    double c1=(19.-55.*c5)/9.;
+
+    int Lt = loops[0].size();
+    std::vector<Real> out(Lt,0.);
+    for(int t=0;t<Lt;t++)
+      out[t] += c1*loops[0][t] + c2*loops[1][t] + c3*loops[2][t] + c4*loops[3][t] + c5*loops[4][t];
+    return out;
+  }
+
+  static Real TopologicalCharge5Li(const GaugeLorentz &U){
+    std::vector<Real> Qt = TimesliceTopologicalCharge5Li(U);
+    Real Q = 0.;
+    for(int t=0;t<Qt.size();t++) Q += Qt[t];
+    std::cout << GridLogMessage << "5Li Topological charge: " << Q << std::endl;
+    return Q;
+  }
+
+
+
+
   //////////////////////////////////////////////////////
   // Similar to above for rectangle is required
   //////////////////////////////////////////////////////

Grid/stencil/Stencil.h

@@ -263,8 +263,7 @@ 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;
@@ -321,15 +320,14 @@ 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 && (!locally_periodic);
+    int comm_dim        = _grid->_processors[dimension] >1 ;
 
-    int recv_from_rank;
+    //    int recv_from_rank;
-    int xmit_to_rank;
+    //    int xmit_to_rank;
 
     if ( ! comm_dim ) return 1;
     if ( displacement == 0 ) return 1;
     return 0;
-
   }
 
   //////////////////////////////////////////
@@ -475,7 +473,7 @@ public:
 
     // the permute type
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
+    int comm_dim        = _grid->_processors[dimension] >1 ;
     int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
 
     int is_same_node = 1;
@@ -659,20 +657,6 @@ 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),
@@ -681,7 +665,6 @@ public:
   {
     face_table_computed=0;
     _grid    = grid;
-    this->locally_periodic=_locally_periodic;
     this->parameters=p;
     /////////////////////////////////////
     // Initialise the base
@@ -707,8 +690,6 @@ public:
       int point = i;
 
       int dimension    = directions[i];
-      assert(dimension>=0 && dimension<_grid->Nd());
-
       int displacement = distances[i];
       int shift = displacement;
 
@@ -722,7 +703,7 @@ public:
       // the permute type
       //////////////////////////
       int simd_layout     = _grid->_simd_layout[dimension];
-      int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
+      int comm_dim        = _grid->_processors[dimension] >1 ;
       int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
       int rotate_dim      = _grid->_simd_layout[dimension]>2;
 
@@ -836,7 +817,7 @@ 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);
@@ -1016,7 +997,6 @@ 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);
@@ -1109,7 +1089,6 @@ 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

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

Grid/tensors/Tensor_traits.h

@@ -47,20 +47,20 @@ NAMESPACE_BEGIN(Grid);
   class TypePair {
   public:
     T _internal[2];
-    TypePair<T>& operator=(const Grid::Zero& o) {
+    accelerator TypePair<T>& operator=(const Grid::Zero& o) {
       _internal[0] = Zero();
       _internal[1] = Zero();
       return *this;
     }
 
-    TypePair<T> operator+(const TypePair<T>& o) const {
+    accelerator TypePair<T> operator+(const TypePair<T>& o) const {
       TypePair<T> r;
       r._internal[0] = _internal[0] + o._internal[0];
       r._internal[1] = _internal[1] + o._internal[1];
       return r;
     }
 
-    TypePair<T>& operator+=(const TypePair<T>& o) {
+    accelerator TypePair<T>& operator+=(const TypePair<T>& o) {
       _internal[0] += o._internal[0];
       _internal[1] += o._internal[1];
       return *this;

Grid/threads/Accelerator.cc

@@ -84,7 +84,8 @@ void acceleratorInit(void)
   // IBM Jsrun makes cuda Device numbering screwy and not match rank
   if ( world_rank == 0 ) {
     printf("AcceleratorCudaInit: using default device \n");
-    printf("AcceleratorCudaInit: assume user either uses a) IBM jsrun, or \n");
+    printf("AcceleratorCudaInit: assume user either uses\n");
+    printf("AcceleratorCudaInit: a) IBM jsrun, or \n");
     printf("AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding \n");
     printf("AcceleratorCudaInit: Configure options --enable-setdevice=no \n");
   }
@@ -95,7 +96,7 @@ void acceleratorInit(void)
 #endif
 
   cudaSetDevice(device);
-
+  cudaStreamCreate(&copyStream);
   const int len=64;
   char busid[len];
   if( rank == world_rank ) { 
@@ -109,6 +110,7 @@ void acceleratorInit(void)
 
 #ifdef GRID_HIP
 hipDeviceProp_t *gpu_props;
+hipStream_t copyStream;
 void acceleratorInit(void)
 {
   int nDevices = 1;
@@ -166,16 +168,25 @@ void acceleratorInit(void)
 #ifdef GRID_DEFAULT_GPU
   if ( world_rank == 0 ) {
     printf("AcceleratorHipInit: using default device \n");
-    printf("AcceleratorHipInit: assume user either uses a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding \n");
+    printf("AcceleratorHipInit: assume user or srun sets ROCR_VISIBLE_DEVICES and numa binding \n");
-    printf("AcceleratorHipInit: Configure options --enable-summit, --enable-select-gpu=no \n");
+    printf("AcceleratorHipInit: Configure options --enable-setdevice=no \n");
   }
+  int device = 0;
 #else
   if ( world_rank == 0 ) {
     printf("AcceleratorHipInit: rank %d setting device to node rank %d\n",world_rank,rank);
-    printf("AcceleratorHipInit: Configure options --enable-select-gpu=yes \n");
+    printf("AcceleratorHipInit: Configure options --enable-setdevice=yes \n");
   }
-  hipSetDevice(rank);
+  int device = rank;
 #endif
+  hipSetDevice(device);
+  hipStreamCreate(&copyStream);
+  const int len=64;
+  char busid[len];
+  if( rank == world_rank ) { 
+    hipDeviceGetPCIBusId(busid, len, device);
+    printf("local rank %d device %d bus id: %s\n", rank, device, busid);
+  }
   if ( world_rank == 0 )  printf("AcceleratorHipInit: ================================================\n");
 }
 #endif

Grid/threads/Accelerator.h

@@ -95,6 +95,7 @@ void     acceleratorInit(void);
 //////////////////////////////////////////////
 
 #ifdef GRID_CUDA
+
 #include <cuda.h>
 
 #ifdef __CUDA_ARCH__
@@ -205,7 +206,8 @@ inline void *acceleratorAllocShared(size_t bytes)
   auto err = cudaMallocManaged((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
   }
   return ptr;
 };
@@ -215,20 +217,53 @@ inline void *acceleratorAllocDevice(size_t bytes)
   auto err = cudaMalloc((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
   }
   return ptr;
 };
-inline void acceleratorFreeShared(void *ptr){ cudaFree(ptr);};
+inline void acceleratorFreeShared(void *ptr){
-inline void acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
+  auto err = cudaFree(ptr);
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
+  if( err != cudaSuccess ) {
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
+    printf(" cudaFree(Shared) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+};
+inline void acceleratorFreeDevice(void *ptr){
+  auto err = cudaFree(ptr);
+  if( err != cudaSuccess ) {
+    printf(" cudaFree(Device) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+};
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  {
+  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemcpy(host->device) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){
+  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemcpy(device->host) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+inline void acceleratorMemSet(void *base,int value,size_t bytes) {
+  auto err = cudaMemset(base,value,bytes);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemSet failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
   cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToDevice,copyStream);
 }
 inline void acceleratorCopySynchronise(void) { cudaStreamSynchronize(copyStream); };
+
 inline int  acceleratorIsCommunicable(void *ptr)
 {
   //  int uvm=0;
@@ -305,7 +340,7 @@ inline void acceleratorFreeDevice(void *ptr){free(ptr,*theGridAccelerator);};
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  {
   theGridAccelerator->memcpy(to,from,bytes);
 }
-inline void acceleratorCopySynchronise(void) {  theGridAccelerator->wait(); }
+inline void acceleratorCopySynchronise(void) {  theGridAccelerator->wait(); std::cout<<"acceleratorCopySynchronise() wait "<<std::endl; }
 inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { theGridAccelerator->memcpy(to,from,bytes); theGridAccelerator->wait();}
 inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ theGridAccelerator->memcpy(to,from,bytes); theGridAccelerator->wait();}
 inline void acceleratorMemSet(void *base,int value,size_t bytes) { theGridAccelerator->memset(base,value,bytes); theGridAccelerator->wait();}
@@ -336,10 +371,11 @@ NAMESPACE_BEGIN(Grid);
 #define accelerator        __host__ __device__
 #define accelerator_inline __host__ __device__ inline
 
+extern hipStream_t copyStream;
 /*These routines define mapping from thread grid to loop & vector lane indexing */
 accelerator_inline int acceleratorSIMTlane(int Nsimd) {
 #ifdef GRID_SIMT
-  return hipThreadIdx_z; 
+  return hipThreadIdx_x; 
 #else
   return 0;
 #endif
@@ -353,19 +389,41 @@ accelerator_inline int acceleratorSIMTlane(int Nsimd) {
       { __VA_ARGS__;}							\
     };									\
     int nt=acceleratorThreads();					\
-    dim3 hip_threads(nt,1,nsimd);					\
+    dim3 hip_threads(nsimd, nt, 1);					 \
-    dim3 hip_blocks ((num1+nt-1)/nt,num2,1);				\
+    dim3 hip_blocks ((num1+nt-1)/nt,num2,1); \
-    hipLaunchKernelGGL(LambdaApply,hip_blocks,hip_threads,		\
+    if(hip_threads.x * hip_threads.y * hip_threads.z <= 64){ \
-		       0,0,						\
+      hipLaunchKernelGGL(LambdaApply64,hip_blocks,hip_threads,		\
-		       num1,num2,nsimd,lambda);				\
+            0,0,						\
+            num1,num2,nsimd, lambda);				\
+    } else { \
+      hipLaunchKernelGGL(LambdaApply,hip_blocks,hip_threads,		\
+            0,0,						\
+            num1,num2,nsimd, lambda);				\
+    } \
   }
 
+
 template<typename lambda>  __global__
+__launch_bounds__(64,1)
+void LambdaApply64(uint64_t numx, uint64_t numy, uint64_t numz, lambda Lambda)
+{
+  // Following the same scheme as CUDA for now
+  uint64_t x = threadIdx.y + blockDim.y*blockIdx.x;
+  uint64_t y = threadIdx.z + blockDim.z*blockIdx.y;
+  uint64_t z = threadIdx.x;
+  if ( (x < numx) && (y<numy) && (z<numz) ) {
+    Lambda(x,y,z);
+  }
+}
+
+template<typename lambda>  __global__
+__launch_bounds__(1024,1)
 void LambdaApply(uint64_t numx, uint64_t numy, uint64_t numz, lambda Lambda)
 {
-  uint64_t x = hipThreadIdx_x + hipBlockDim_x*hipBlockIdx_x;
+  // Following the same scheme as CUDA for now
-  uint64_t y = hipThreadIdx_y + hipBlockDim_y*hipBlockIdx_y;
+  uint64_t x = threadIdx.y + blockDim.y*blockIdx.x;
-  uint64_t z = hipThreadIdx_z ;//+ hipBlockDim_z*hipBlockIdx_z;
+  uint64_t y = threadIdx.z + blockDim.z*blockIdx.y;
+  uint64_t z = threadIdx.x;
   if ( (x < numx) && (y<numy) && (z<numz) ) {
     Lambda(x,y,z);
   }
@@ -410,10 +468,16 @@ inline void acceleratorFreeShared(void *ptr){ hipFree(ptr);};
 inline void acceleratorFreeDevice(void *ptr){ hipFree(ptr);};
 inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyHostToDevice);}
 inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ hipMemcpy(to,from,bytes, hipMemcpyDeviceToHost);}
-inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);}
+//inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);}
-inline void acceleratorCopySynchronise(void) {  }
+//inline void acceleratorCopySynchronise(void) {  }
 inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(base,value,bytes);}
 
+inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
+{
+  hipMemcpyAsync(to,from,bytes, hipMemcpyDeviceToDevice,copyStream);
+}
+inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream); };
+
 #endif
 
 //////////////////////////////////////////////
@@ -484,18 +548,12 @@ inline void acceleratorFreeCpu  (void *ptr){free(ptr);};
 ///////////////////////////////////////////////////
 // Synchronise across local threads for divergence resynch
 ///////////////////////////////////////////////////
-accelerator_inline void acceleratorSynchronise(void) 
+accelerator_inline void acceleratorSynchronise(void)  // Only Nvidia needs 
 {
 #ifdef GRID_SIMT
 #ifdef GRID_CUDA
   __syncwarp();
 #endif
-#ifdef GRID_SYCL
-  //cl::sycl::detail::workGroupBarrier();
-#endif
-#ifdef GRID_HIP
-  __syncthreads();
-#endif
 #endif
   return;
 }

Grid/util/Coordinate.h

@@ -88,7 +88,7 @@ public:
 // Coordinate class, maxdims = 8 for now.
 ////////////////////////////////////////////////////////////////
 #define GRID_MAX_LATTICE_DIMENSION (8)
-#define GRID_MAX_SIMD              (16)
+#define GRID_MAX_SIMD              (32)
 
 static constexpr int MaxDims = GRID_MAX_LATTICE_DIMENSION;
 

Grid/util/Init.cc

@@ -167,6 +167,13 @@ void GridCmdOptionInt(std::string &str,int & val)
   return;
 }
 
+void GridCmdOptionFloat(std::string &str,float & val)
+{
+  std::stringstream ss(str);
+  ss>>val;
+  return;
+}
+
 
 void GridParseLayout(char **argv,int argc,
 		     Coordinate &latt_c,
@@ -527,6 +534,7 @@ void Grid_init(int *argc,char ***argv)
 void Grid_finalize(void)
 {
 #if defined (GRID_COMMS_MPI) || defined (GRID_COMMS_MPI3) || defined (GRID_COMMS_MPIT)
+  MPI_Barrier(MPI_COMM_WORLD);
   MPI_Finalize();
   Grid_unquiesce_nodes();
 #endif

Grid/util/Init.h

@@ -57,6 +57,7 @@ void GridCmdOptionCSL(std::string str,std::vector<std::string> & vec);
 template<class VectorInt>
 void GridCmdOptionIntVector(const std::string &str,VectorInt & vec);
 void GridCmdOptionInt(std::string &str,int & val);
+void GridCmdOptionFloat(std::string &str,float & val);
 
 
 void GridParseLayout(char **argv,int argc,

HMC/Mobius2f.cc

@@ -1,170 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,386 +0,0 @@
-/*************************************************************************************
-
-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

@@ -33,8 +33,137 @@ 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;
@@ -61,18 +190,18 @@ 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 = 15;
+  MD.MDsteps = 6;
   MD.trajL   = 1.0;
   
   HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 0;
+  HMCparams.StartTrajectory  = 590;
   HMCparams.Trajectories     = 1000;
-  HMCparams.NoMetropolisUntil=  10;
+  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);
 
@@ -80,9 +209,9 @@ int main(int argc, char **argv) {
   TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
   
   CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_EOFA_lat";
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
-  CPparams.rng_prefix    = "ckpoint_EOFA_rng";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
-  CPparams.saveInterval  = 1;
+  CPparams.saveInterval  = 10;
   CPparams.format        = "IEEE64BIG";
   TheHMC.Resources.LoadNerscCheckpointer(CPparams);
 
@@ -97,16 +226,16 @@ int main(int argc, char **argv) {
   TheHMC.Resources.AddObservable<PlaqObs>();
   //////////////////////////////////////////////
 
-  const int Ls      = 24;
+  const int Ls      = 16;
   Real beta         = 2.13;
-  Real light_mass   = 0.005;
+  Real light_mass   = 0.01;
-  Real strange_mass = 0.0362;
+  Real strange_mass = 0.04;
   Real pv_mass      = 1.0;
   RealD M5  = 1.8;
-  RealD b   = 1.5; 
+  RealD b   = 1.0; 
-  RealD c   = 0.5;
+  RealD c   = 0.0;
 
-  std::vector<Real> hasenbusch({ 0.02, 0.2, 0.6 });
+  std::vector<Real> hasenbusch({ 0.1, 0.3, 0.6 });
 
   auto GridPtr   = TheHMC.Resources.GetCartesian();
   auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
@@ -134,7 +263,7 @@ int main(int argc, char **argv) {
   FermionActionF::ImplParams ParamsF(boundary);
   
   double ActionStoppingCondition     = 1e-10;
-  double DerivativeStoppingCondition = 1e-8;
+  double DerivativeStoppingCondition = 1e-6;
   double MaxCGIterations = 30000;
 
   ////////////////////////////////////
@@ -173,37 +302,40 @@ 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,MX_tol,
+  MxPCG_EOFA ActionCGL(ActionStoppingCondition,
 		       MX_inner,
 		       MaxCGIterations,
+		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_LF,Strange_Op_L,
 		       Strange_LinOp_LF,Strange_LinOp_L);
 
-  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,MX_tol,
+  MxPCG_EOFA DerivativeCGL(DerivativeStoppingCondition,
 			   MX_inner,
 			   MaxCGIterations,
+			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_LF,Strange_Op_L,
 			   Strange_LinOp_LF,Strange_LinOp_L);
   
-  MxPCG_EOFA ActionCGR(ActionStoppingCondition,MX_tol,
+  MxPCG_EOFA ActionCGR(ActionStoppingCondition,
 		       MX_inner,
 		       MaxCGIterations,
+		       GridPtrF,
 		       FrbGridF,
 		       Strange_Op_RF,Strange_Op_R,
 		       Strange_LinOp_RF,Strange_LinOp_R);
   
-  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,MX_tol,
+  MxPCG_EOFA DerivativeCGR(DerivativeStoppingCondition,
 			   MX_inner,
 			   MaxCGIterations,
+			   GridPtrF,
 			   FrbGridF,
 			   Strange_Op_RF,Strange_Op_R,
 			   Strange_LinOp_RF,Strange_LinOp_R);
@@ -269,16 +401,18 @@ 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,MX_tol,
+    MPCG.push_back(new MxPCG(DerivativeStoppingCondition,
 			     MX_inner,
 			     MaxCGIterations,
+			     GridPtrF,
 			     FrbGridF,
 			     *DenominatorsF[h],*Denominators[h],
 			     *LinOpF[h], *LinOpD[h]) );
 
-    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,MX_tol,
+    ActionMPCG.push_back(new MxPCG(ActionStoppingCondition,
 				   MX_inner,
 				   MaxCGIterations,
+				   GridPtrF,
 				   FrbGridF,
 				   *DenominatorsF[h],*Denominators[h],
 				   *LinOpF[h], *LinOpD[h]) );

HMC/Mobius2p1fEOFA_4dPseudoFermion.cc

@@ -1,338 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,312 +0,0 @@
-/*************************************************************************************
-
-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
-
-
-