Added an HMC checkpoint start option that loads the fields and then reseeds the RNGs, suitable for creating new evolution streams

Added option to choose RNG seeds in 40ID main binary

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/LinearOperator.h

@@ -223,14 +223,9 @@ 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 +276,6 @@ 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:

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

@@ -52,31 +52,23 @@ NAMESPACE_BEGIN(Grid);
 
     //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
     LinearFunction<FieldF> *guesser;
-
-    MixedPrecisionConjugateGradient(RealD Tol,
-				    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,
+    
+    MixedPrecisionConjugateGradient(RealD tol, 
 				    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),
-      OuterLoopNormMult(100.), guesser(NULL){ assert(InnerTol < 1.0e-1);};
+      Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
+      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 +103,7 @@ 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 +137,7 @@ 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

@@ -54,23 +54,15 @@ class DeflatedGuesser: public LinearFunction<Field> {
 private:
   const std::vector<Field> &evec;
   const std::vector<RealD> &eval;
-  const unsigned int       N;
 
 public:
 
-  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval)
-  : DeflatedGuesser(_evec, _eval, _evec.size())
-  {}
-
-  DeflatedGuesser(const std::vector<Field> & _evec, const std::vector<RealD> & _eval, const unsigned int _N)
-  : evec(_evec), eval(_eval), N(_N)
-  {
-    assert(evec.size()==eval.size());
-    assert(N <= evec.size());
-  } 
+  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
 
   virtual void operator()(const Field &src,Field &guess) {
     guess = Zero();
+    assert(evec.size()==eval.size());
+    auto N = evec.size();
     for (int i=0;i<N;i++) {
       const Field& tmp = evec[i];
       axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);

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,
@@ -153,6 +154,7 @@ 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 +181,16 @@ 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 +209,13 @@ 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 +293,10 @@ 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 +340,8 @@ 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 +390,31 @@ 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);
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
+    Chebyshev<FineField>                          Cheby(cheby_op); //Chebyshev of fine operator on fine grid
+    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); //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);
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
+    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); 
 
     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 +425,14 @@ 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/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 ( this->adjoint() ) _Matrix.Mdag(out[b],resid); 
-	  else                   _Matrix.M(out[b],resid); 
-
+	if ( ! subGuess ) {
+	  _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;
-	  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;
+	  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 ) {
-
-	std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint "<< this->adjoint() << std::endl;
-	
-	if ( this->adjoint() ) _Matrix.Mdag(out,resid); 
-	else                   _Matrix.M(out,resid); 
-
+        _Matrix.M(out,resid); 
         resid = resid-in;
         RealD ns = norm2(in);
         RealD nr = norm2(resid);
 
-	  if ( this->adjoint() ) 
-	    std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
-	  else                   
-	    std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
-
+        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

@@ -9,30 +9,14 @@ NAMESPACE_BEGIN(Grid);
 #define AccSmall (3)
 #define Shared   (4)
 #define SharedSmall (5)
-#undef GRID_MM_VERBOSE 
 uint64_t total_shared;
 uint64_t total_device;
 uint64_t total_host;;
 void MemoryManager::PrintBytes(void)
 {
-  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
-  std::cout << " MemoryManager : PrintBytes "<<std::endl;
-  std::cout << " MemoryManager : ------------------------------------ "<<std::endl;
-  std::cout << " MemoryManager : "<<(total_shared>>20)<<" shared      Mbytes "<<std::endl;
-  std::cout << " MemoryManager : "<<(total_device>>20)<<" accelerator Mbytes "<<std::endl;
-  std::cout << " MemoryManager : "<<(total_host>>20)  <<" cpu         Mbytes "<<std::endl;
-  uint64_t cacheBytes;
-  cacheBytes = CacheBytes[Cpu];
-  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu cache Mbytes "<<std::endl;
-  cacheBytes = CacheBytes[Acc];
-  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc cache Mbytes "<<std::endl;
-  cacheBytes = CacheBytes[Shared];
-  std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" shared cache Mbytes "<<std::endl;
-  
-#ifdef GRID_CUDA
-  cuda_mem();
-#endif
-  
+  std::cout << " MemoryManager : "<<total_shared<<" shared      bytes "<<std::endl;
+  std::cout << " MemoryManager : "<<total_device<<" accelerator bytes "<<std::endl;
+  std::cout << " MemoryManager : "<<total_host  <<" cpu         bytes "<<std::endl;
 }
 
 //////////////////////////////////////////////////////////////////////
@@ -40,114 +24,86 @@ void MemoryManager::PrintBytes(void)
 //////////////////////////////////////////////////////////////////////
 MemoryManager::AllocationCacheEntry MemoryManager::Entries[MemoryManager::NallocType][MemoryManager::NallocCacheMax];
 int MemoryManager::Victim[MemoryManager::NallocType];
-int MemoryManager::Ncache[MemoryManager::NallocType] = { 2, 8, 2, 8, 2, 8 };
-uint64_t MemoryManager::CacheBytes[MemoryManager::NallocType];
+int MemoryManager::Ncache[MemoryManager::NallocType] = { 8, 32, 8, 32, 8, 32 };
+
 //////////////////////////////////////////////////////////////////////
 // Actual allocation and deallocation utils
 //////////////////////////////////////////////////////////////////////
 void *MemoryManager::AcceleratorAllocate(size_t bytes)
 {
-  total_device+=bytes;
   void *ptr = (void *) Lookup(bytes,Acc);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocDevice(bytes);
+    total_device+=bytes;
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"AcceleratorAllocate "<<std::endl;
-  PrintBytes();
-#endif
   return ptr;
 }
 void  MemoryManager::AcceleratorFree    (void *ptr,size_t bytes)
 {
-  total_device-=bytes;
   void *__freeme = Insert(ptr,bytes,Acc);
   if ( __freeme ) {
     acceleratorFreeDevice(__freeme);
+    total_device-=bytes;
+    //    PrintBytes();
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"AcceleratorFree "<<std::endl;
-  PrintBytes();
-#endif
 }
 void *MemoryManager::SharedAllocate(size_t bytes)
 {
-  total_shared+=bytes;
   void *ptr = (void *) Lookup(bytes,Shared);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocShared(bytes);
+    total_shared+=bytes;
+    //    std::cout <<"AcceleratorAllocate: allocated Shared pointer "<<std::hex<<ptr<<std::dec<<std::endl;
+    //    PrintBytes();
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"SharedAllocate "<<std::endl;
-  PrintBytes();
-#endif
   return ptr;
 }
 void  MemoryManager::SharedFree    (void *ptr,size_t bytes)
 {
-  total_shared-=bytes;
   void *__freeme = Insert(ptr,bytes,Shared);
   if ( __freeme ) {
     acceleratorFreeShared(__freeme);
+    total_shared-=bytes;
+    //    PrintBytes();
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"SharedFree "<<std::endl;
-  PrintBytes();
-#endif
 }
 #ifdef GRID_UVM
 void *MemoryManager::CpuAllocate(size_t bytes)
 {
-  total_host+=bytes;
   void *ptr = (void *) Lookup(bytes,Cpu);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocShared(bytes);
+    total_host+=bytes;
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"CpuAllocate "<<std::endl;
-  PrintBytes();
-#endif
   return ptr;
 }
 void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
 {
-  total_host-=bytes;
   NotifyDeletion(_ptr);
   void *__freeme = Insert(_ptr,bytes,Cpu);
   if ( __freeme ) { 
     acceleratorFreeShared(__freeme);
+    total_host-=bytes;
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"CpuFree "<<std::endl;
-  PrintBytes();
-#endif
 }
 #else
 void *MemoryManager::CpuAllocate(size_t bytes)
 {
-  total_host+=bytes;
   void *ptr = (void *) Lookup(bytes,Cpu);
   if ( ptr == (void *) NULL ) {
     ptr = (void *) acceleratorAllocCpu(bytes);
+    total_host+=bytes;
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"CpuAllocate "<<std::endl;
-  PrintBytes();
-#endif
   return ptr;
 }
 void  MemoryManager::CpuFree    (void *_ptr,size_t bytes)
 {
-  total_host-=bytes;
   NotifyDeletion(_ptr);
   void *__freeme = Insert(_ptr,bytes,Cpu);
   if ( __freeme ) { 
     acceleratorFreeCpu(__freeme);
+    total_host-=bytes;
   }
-#ifdef GRID_MM_VERBOSE
-  std::cout <<"CpuFree "<<std::endl;
-  PrintBytes();
-#endif
 }
 #endif
 
@@ -225,13 +181,13 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,int type)
 #ifdef ALLOCATION_CACHE
   bool small = (bytes < GRID_ALLOC_SMALL_LIMIT);
   int cache = type + small;
-  return Insert(ptr,bytes,Entries[cache],Ncache[cache],Victim[cache],CacheBytes[cache]);  
+  return Insert(ptr,bytes,Entries[cache],Ncache[cache],Victim[cache]);  
 #else
   return ptr;
 #endif
 }
 
-void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim, uint64_t &cacheBytes) 
+void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim) 
 {
   assert(ncache>0);
 #ifdef GRID_OMP
@@ -255,7 +211,6 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries
 
   if ( entries[v].valid ) {
     ret = entries[v].address;
-    cacheBytes -= entries[v].bytes;
     entries[v].valid = 0;
     entries[v].address = NULL;
     entries[v].bytes = 0;
@@ -264,7 +219,6 @@ void *MemoryManager::Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries
   entries[v].address=ptr;
   entries[v].bytes  =bytes;
   entries[v].valid  =1;
-  cacheBytes += bytes;
 
   return ret;
 }
@@ -274,13 +228,13 @@ void *MemoryManager::Lookup(size_t bytes,int type)
 #ifdef ALLOCATION_CACHE
   bool small = (bytes < GRID_ALLOC_SMALL_LIMIT);
   int cache = type+small;
-  return Lookup(bytes,Entries[cache],Ncache[cache],CacheBytes[cache]);
+  return Lookup(bytes,Entries[cache],Ncache[cache]);
 #else
   return NULL;
 #endif
 }
 
-void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t & cacheBytes) 
+void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache) 
 {
   assert(ncache>0);
 #ifdef GRID_OMP
@@ -289,7 +243,6 @@ void *MemoryManager::Lookup(size_t bytes,AllocationCacheEntry *entries,int ncach
   for(int e=0;e<ncache;e++){
     if ( entries[e].valid && ( entries[e].bytes == bytes ) ) {
       entries[e].valid = 0;
-      cacheBytes -= entries[e].bytes;
       return entries[e].address;
     }
   }

Grid/allocator/MemoryManager.h

@@ -82,15 +82,14 @@ private:
   static AllocationCacheEntry Entries[NallocType][NallocCacheMax];
   static int Victim[NallocType];
   static int Ncache[NallocType];
-  static uint64_t CacheBytes[NallocType];
 
   /////////////////////////////////////////////////
   // Free pool
   /////////////////////////////////////////////////
   static void *Insert(void *ptr,size_t bytes,int type) ;
   static void *Lookup(size_t bytes,int type) ;
-  static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim,uint64_t &cbytes) ;
-  static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t &cbytes) ;
+  static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim) ;
+  static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache) ;
 
   static void PrintBytes(void);
  public:

Grid/allocator/MemoryManagerCache.cc

@@ -3,7 +3,7 @@
 
 #warning "Using explicit device memory copies"
 NAMESPACE_BEGIN(Grid);
-//#define dprintf(...) printf ( __VA_ARGS__ ); fflush(stdout);
+//define dprintf(...) printf ( __VA_ARGS__ ); fflush(stdout);
 #define dprintf(...)
 
 
@@ -429,7 +429,6 @@ void  MemoryManager::NotifyDeletion(void *_ptr)
 }
 void  MemoryManager::Print(void)
 {
-  PrintBytes();
   std::cout << GridLogDebug << "--------------------------------------------" << std::endl;
   std::cout << GridLogDebug << "Memory Manager                             " << std::endl;
   std::cout << GridLogDebug << "--------------------------------------------" << std::endl;

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_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<std::discrete_distribution<int32_t> >   _bernoulli;
+  std::vector<Grid::gaussian_distribution<RealD> >       _gaussian;
+  //  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/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
-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
+// LorentzColour
 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), locally_periodic(false) {};
+  GparityWilsonImplParams() : twists(Nd, 0) {};
 };
   
 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() : locally_periodic(false) {};
+  StaggeredImplParams()  {};
 };
   
-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/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

@@ -101,12 +101,6 @@ 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);
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////

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; };
-  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
-  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void) override { return UmuOdd; };
-  virtual DoubledGaugeField &GetU(void)   { return Umu ; } ;
-  virtual DoubledGaugeField &GetUUU(void) { return UUUmu; };
+  DoubledGaugeField &GetU(void)   { return Umu ; } ;
+  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
-  void ImportGauge      (const GaugeField &_Uthin ) { assert(0); }
+    // DoubleStore gauge field in operator
+    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 DoubledGaugeField &_UUU,const DoubledGaugeField &_U);
-  // 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
-  virtual DoubledGaugeField &GetDoubledGaugeField(void)  override { return Umu; };
-  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void) override { return UmuEven; };
-  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void) override { return UmuOdd; };
-  DoubledGaugeField &GetU(void)   { return Umu ; } ;
-  DoubledGaugeField &GetUUU(void) { return UUUmu; };
-  void CopyGaugeCheckerboards(void);
-  
+    void ImportGaugeSimple(const GaugeField &_UUU,const GaugeField &_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
+    // if Carleton wants to cache them and not use the ImportSimple
+    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/WilsonCompressor.h

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

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),
-  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p.locally_periodic,p), // source is Even
-  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p.locally_periodic,p), // source is Odd
+  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p),
+  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p), // source is Even
+  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();
-
-  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
-	 ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute)
-         ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet) );
-
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) {
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
-  }
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute ) {
+  else 
     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),
-    StencilEven(&Hgrid, npoint, Even, directions,displacements,p.locally_periodic,p),  // source is Even
-    StencilOdd(&Hgrid, npoint, Odd, directions,displacements,p.locally_periodic,p),  // source is Odd
+    Stencil(&Fgrid, npoint, Even, directions, displacements,p),
+    StencilEven(&Hgrid, npoint, Even, directions,displacements,p),  // source is Even
+    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();
-
-  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
-	 ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute)
-         ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet) );
-
-
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) {
+#ifdef GRID_OMP
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
-  }
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute ) {
+  else
+#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/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;

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);
-        Rop.RefreshShiftCoefficients(-1.0);
+        //Lop.RefreshShiftCoefficients(0.0);
+        //Rop.RefreshShiftCoefficients(-1.0);
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+
+	//Mark that the next call to S is the first after refresh
+	initial_action = true;
+
 
 	// Bounds check
 	RealD EtaDagEta = norm2(eta);
+	norm2_eta = EtaDagEta;
+
 	//	RealD PhiDagMPhi= norm2(eta);
 
       };
 
-      void Meofa(const GaugeField& U,const FermionField &phi, FermionField & Mphi) 
+      void Meofa(const GaugeField& U,const FermionField &in, FermionField & out) 
       {
-#if 0
         Lop.ImportGauge(U);
         Rop.ImportGauge(U);
 
-        FermionField spProj_Phi(Lop.FermionGrid());
-	FermionField mPhi(Lop.FermionGrid());
+        FermionField spProj_in(Lop.FermionGrid());
         std::vector<FermionField> tmp(2, Lop.FermionGrid());
-	mPhi = phi;
+	out = in;
 	
         // LH term: S = S - k <\Phi| P_{-} \Omega_{-}^{\dagger} H(mf)^{-1} \Omega_{-} P_{-} |\Phi>
-        spProj(Phi, spProj_Phi, -1, Lop.Ls);
-        Lop.Omega(spProj_Phi, tmp[0], -1, 0);
+        spProj(in, spProj_in, -1, Lop.Ls);
+        Lop.Omega(spProj_in, tmp[0], -1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverL(Lop, tmp[1], tmp[0]);
         Lop.Dtilde(tmp[0], tmp[1]); // We actually solved Cayley preconditioned system: transform back
         Lop.Omega(tmp[1], tmp[0], -1, 1);
-	mPhi = mPhi -  Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
+	spProj(tmp[0], tmp[1], -1, Lop.Ls);
+
+	out = out -  Lop.k * tmp[1];
 
         // RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
-        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
-        spProj(Phi, spProj_Phi, 1, Rop.Ls);
-        Rop.Omega(spProj_Phi, tmp[0], 1, 0);
+        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
+        spProj(in, spProj_in, 1, Rop.Ls);
+        Rop.Omega(spProj_in, tmp[0], 1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverR(Rop, tmp[1], tmp[0]);
         Rop.Dtilde(tmp[0], tmp[1]);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
-        action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
-#endif
+	spProj(tmp[0], tmp[1], 1, Rop.Ls);
+
+        out = out + Rop.k * tmp[1];
       }
 
+      //Due to the structure of EOFA, it is no more expensive to compute the inverse of Meofa
+      //To ensure correctness we can simply reuse the heatbath code but use the rational approx
+      //f(x) = 1/x   which corresponds to alpha_0=0,  alpha_1=1,  beta_1=0 => gamma_1=1
+      void MeofaInv(const GaugeField &U, const FermionField &in, FermionField &out) {
+        Lop.ImportGauge(U);
+        Rop.ImportGauge(U);
+
+        FermionField CG_src      (Lop.FermionGrid());
+        FermionField CG_soln     (Lop.FermionGrid());
+        std::vector<FermionField> tmp(2, Lop.FermionGrid());
+
+        // \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
+	// = 1 * \eta
+        out = in;
+
+        // LH terms:
+        // \Phi = \Phi + k \sum_{k=1}^{N_{p}} P_{-} \Omega_{-}^{\dagger} ( H(mf)
+        //          - \gamma_{l} \Delta_{-}(mf,mb) P_{-} )^{-1} \Omega_{-} P_{-} \eta
+        spProj(in, tmp[0], -1, Lop.Ls);
+        Lop.Omega(tmp[0], tmp[1], -1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+          heatbathRefreshShiftCoefficients(0, -1.); //-gamma_1 = -1.
+
+	  CG_soln = Zero(); // Just use zero as the initial guess
+	  SolverHBL(Lop, CG_src, CG_soln);
+
+          Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = Lop.k * tmp[0];
+        }
+        Lop.Omega(tmp[1], tmp[0], -1, 1);
+        spProj(tmp[0], tmp[1], -1, Lop.Ls);
+        out = out + tmp[1];
+
+        // RH terms:
+        // \Phi = \Phi - k \sum_{k=1}^{N_{p}} P_{+} \Omega_{+}^{\dagger} ( H(mb)
+        //          - \beta_l\gamma_{l} \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} \eta
+        spProj(in, tmp[0], 1, Rop.Ls);
+        Rop.Omega(tmp[0], tmp[1], 1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+	  heatbathRefreshShiftCoefficients(1, 0.); //-gamma_1 * beta_1 = 0
+
+	  CG_soln = Zero();
+	  SolverHBR(Rop, CG_src, CG_soln);
+
+          Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = - Rop.k * tmp[0];
+        }
+        Rop.Omega(tmp[1], tmp[0], 1, 1);
+        spProj(tmp[0], tmp[1], 1, Rop.Ls);
+        out = out + tmp[1];
+
+        // Reset shift coefficients for energy and force evals
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+      };
+
+
+
+
       // EOFA action: see Eqn. (10) of arXiv:1706.05843
       virtual RealD S(const GaugeField& U)
       {
@@ -271,7 +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> & HS) :
+                                                OperatorFunction<FermionField> & AS, 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 << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
-    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
+    std::cout << GridLogHMC
+              << "--------------------------------------------------\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();
-
-    //////////////////////////////////////////////////////////////////////////////////////////////////////
-    // 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";
+    RealD H0 = TheIntegrator.S(U);  // initial state action
 
     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";
 
-    //////////////////////////////////////////////////////////////////////////////////////////////////////
-    // updated state action
-    //////////////////////////////////////////////////////////////////////////////////////////////////////
-    std::cout << GridLogMessage << "--------------------------------------------------\n";
-    std::cout << GridLogMessage << "Compute final action";
-    RealD H1 = TheIntegrator.S(U);  
-    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    RealD H1 = TheIntegrator.S(U);  // updated state action
 
-
-    
     ///////////////////////////////////////////////////////////
     if(0){
       std::cout << "------------------------- Reversibility test" << std::endl;
@@ -208,16 +163,17 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
+
     std::cout.precision(15);
-
-    std::cout << GridLogHMC << "--------------------------------------------------\n";
-    std::cout << GridLogHMC << "Total H after trajectory  = " << H1 << "  dH = " << H1 - H0 << "\n";
-    std::cout << GridLogHMC << "--------------------------------------------------\n";
-
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1
+	      << "  dH = " << H1 - H0 << "\n";
     std::cout.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/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);
-      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 force_abs = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
 
-      Real force_max   = std::sqrt(maxLocalNorm2(force));
-      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
-
-      as[level].actions.at(a)->deriv_log(force_abs,force_max);
-      
-      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force average: " << force_abs <<" "<<name<<std::endl;
-      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force max    : " << force_max <<" "<<name<<std::endl;
-      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt average  : " << impulse_abs <<" "<<name<<std::endl;
-      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt max      : " << impulse_max <<" "<<name<<std::endl;
+      Real max_force_abs = std::sqrt(maxLocalNorm2(force));
+      Real max_impulse_abs = max_force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
 
+      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 << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
-
+	std::cout << GridLogIntegrator << "Refreshing integrator level " << level << " index " << actionID << 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;
-  mutable RealD epsilon, taus;
-
+  RealD epsilon; //for regular smearing this is the time step, for adaptive it is the initial time step
+ 
+  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;
-  void evolve_step_adaptive(typename Gimpl::GaugeField&, RealD);
-  RealD tau(unsigned int t)const {return epsilon*(t+1.0); }
+  //Evolve the gauge field by 1 step and update tau
+  void evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const;
+  //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);
-  RealD energyDensityPlaquette(unsigned int step, const GaugeField& U) const;
-  RealD energyDensityPlaquette(const GaugeField& U) const;
+  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau) 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) {
-  if (maxTau - taus < epsilon){
-    epsilon = maxTau-taus;
+void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD &tau, RealD &eps, RealD maxTau) const{
+  if (maxTau - tau < eps){
+    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 td = tau(step);
-  return 2.0 * td * td * SG.S(U)/U.Grid()->gSites();
+RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const RealD t, const GaugeField& U){
+  static WilsonGaugeAction<Gimpl> SG(3.0);
+  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 {
-  return 2.0 * taus * taus * SG.S(U)/U.Grid()->gSites();
+std::vector<RealD> WilsonFlow<Gimpl>::flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval){
+  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) : "
-		  << step << "  " << tau(step) << "  " 
-	      << energyDensityPlaquette(step,out) << std::endl;
-    if( step % measure_interval == 0){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
-    }
+    //Perform measurements
+    for(auto const &meas : functions)
+      if( step % meas.first == 0 ) meas.second(step,taus,out);
   }
 }
 
 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);
-    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
-		  << step << "  " << taus << "  "
-	      << energyDensityPlaquette(out) << std::endl;
-    if( step % measure_interval == 0){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
-    }
+    evolve_step_adaptive(out, taus, eps, maxTau);
+    //Perform measurements
+    for(auto const &meas : functions)
+      if( step % meas.first == 0 ) meas.second(step,taus,out);
   } 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) {
-    for(int mu=0;mu<Nd;mu++){
-      Complex cmi(0.0,-1.0);
-      A[mu] = Ta(U[mu]) * cmi;
-    }
+  //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
+  static void GaugeLinkToLieAlgebraField(const GaugeMat &U, GaugeMat &A) {
+    Complex cmi(0.0,-1.0);
+    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);
-
-    GaugeLinkToLieAlgebraField(U,A);
-    ExpiAlphaDmuAmu(A,g,alpha,dmuAmu,orthog);
-
+    ExpiAlphaDmuAmu(U,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);
-
-    GaugeLinkToLieAlgebraField(U,A);
-
-    DmuAmu(A,dmuAmu,orthog);
+    DmuAmu(U,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>
-  static void GaugeTransform( GaugeField &Umu, GaugeMat &g){
+  template<typename Gimpl>
+  static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
     GridBase *grid = Umu.Grid();
     conformable(grid,g.Grid());
 
-    GaugeMat U(grid);
-    GaugeMat ag(grid); ag = adj(g);
+    typename Gimpl::GaugeLinkField U(grid);
+    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>
-  static void GaugeTransform( std::vector<GaugeMat> &U, GaugeMat &g){
+  template<typename Gimpl>
+  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>
-  static void RandomGaugeTransform(GridParallelRNG &pRNG, GaugeField &Umu, GaugeMat &g){
+  template<typename Gimpl>
+  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;
@@ -321,7 +320,7 @@ public:
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
+    int comm_dim        = _grid->_processors[dimension] >1 ;
 
     int recv_from_rank;
     int xmit_to_rank;
@@ -329,7 +328,6 @@ public:
     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){
-    temp *= alpha/RealD(n);
+  for(int i=Nexp; i>=1;--i){
+    temp *= alpha/RealD(i);
     temp = unit + temp*arg;
   }
   return temp;

Grid/threads/Accelerator.cc

@@ -74,13 +74,11 @@ void acceleratorInit(void)
       //      GPU_PROP(singleToDoublePrecisionPerfRatio);
     }
   }
-
   MemoryManager::DeviceMaxBytes = (8*totalDeviceMem)/10; // Assume 80% ours
 #undef GPU_PROP_FMT    
 #undef GPU_PROP
 
 #ifdef GRID_DEFAULT_GPU
-  int device = 0;
   // IBM Jsrun makes cuda Device numbering screwy and not match rank
   if ( world_rank == 0 ) {
     printf("AcceleratorCudaInit: using default device \n");
@@ -89,20 +87,12 @@ void acceleratorInit(void)
     printf("AcceleratorCudaInit: Configure options --enable-setdevice=no \n");
   }
 #else
-  int device = rank;
   printf("AcceleratorCudaInit: rank %d setting device to node rank %d\n",world_rank,rank);
   printf("AcceleratorCudaInit: Configure options --enable-setdevice=yes \n");
+  cudaSetDevice(rank);
 #endif
 
-  cudaSetDevice(device);
-
-  const int len=64;
-  char busid[len];
-  if( rank == world_rank ) { 
-    cudaDeviceGetPCIBusId(busid, len, device);
-    printf("local rank %d device %d bus id: %s\n", rank, device, busid);
-  }
-
+  cudaStreamCreate(&copyStream);
   if ( world_rank == 0 )  printf("AcceleratorCudaInit: ================================================\n");
 }
 #endif

Grid/threads/Accelerator.h

@@ -115,14 +115,6 @@ accelerator_inline int acceleratorSIMTlane(int Nsimd) {
 #endif
 } // CUDA specific
 
-inline void cuda_mem(void)
-{
-  size_t free_t,total_t,used_t;
-  cudaMemGetInfo(&free_t,&total_t);
-  used_t=total_t-free_t;
-  std::cout << " MemoryManager : GPU used "<<used_t<<" free "<<free_t<< " total "<<total_t<<std::endl;
-}
-
 #define accelerator_for2dNB( iter1, num1, iter2, num2, nsimd, ... )	\
   {									\
     int nt=acceleratorThreads();					\
@@ -205,7 +197,8 @@ 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;
 };
@@ -215,15 +208,47 @@ 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 acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
-inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
+inline void acceleratorFreeShared(void *ptr){
+  auto err = cudaFree(ptr);
+  if( err != cudaSuccess ) {
+    printf(" cudaFree(Shared) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
+    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);

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; 
-  //MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 15;
+  //  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper; 
+  //  MD.name    = std::string("MinimumNorm2");
+  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("CheckpointStart");
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  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.rng_prefix    = "ckpoint_EOFA_rng";
-  CPparams.saveInterval  = 1;
+  CPparams.config_prefix = "ckpoint_EODWF_lat";
+  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
+  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 strange_mass = 0.0362;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
   Real pv_mass      = 1.0;
   RealD M5  = 1.8;
-  RealD b   = 1.5; 
-  RealD c   = 0.5;
+  RealD b   = 1.0; 
+  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
-
-
-

HMC/Mobius2p1fEOFA_F1.cc

@@ -34,6 +34,8 @@ directory
 #define MIXED_PRECISION
 #endif
 
+NAMESPACE_BEGIN(Grid);
+
   /*
    * Need a plan for gauge field update for mixed precision in HMC                      (2x speed up)
    *    -- Store the single prec action operator.
@@ -41,7 +43,111 @@ directory
    *    -- Build the mixed precision operator dynamically from the passed operator and single prec clone.
    */
 
-#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+  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);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // 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;
@@ -184,7 +290,6 @@ int main(int argc, char **argv) {
   ConjugateGradient<FermionField>  DerivativeCG(DerivativeStoppingCondition,MaxCGIterations);
 #ifdef MIXED_PRECISION
   const int MX_inner = 5000;
-  const RealD MX_tol = 1.0e-6;
 
   // Mixed precision EOFA
   LinearOperatorEOFAD Strange_LinOp_L (Strange_Op_L);
@@ -192,30 +297,34 @@ int main(int argc, char **argv) {
   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);
@@ -285,16 +394,18 @@ int main(int argc, char **argv) {
 
     double conv  = DerivativeStoppingCondition;
     if (h<3) conv= DerivativeStoppingConditionLoose; // Relax on first two hasenbusch factors
-    MPCG.push_back(new MxPCG(conv,MX_tol,
+    MPCG.push_back(new MxPCG(conv,
 			     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_M1M.cc

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

HMC/Mobius2p1fIDSDRGparityEOFA.cc

@@ -0,0 +1,765 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//We try to reproduce with G-parity BCs the 246 MeV 1.37 GeV ensemble
+//To speed things up we will use Mobius DWF with b+c=32/12 and Ls=12 to match the Ls=32 of the original
+//These parameters match those used in the 2020 K->pipi paper
+
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+struct EOFAparameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
+				  OneFlavourRationalParams, rat_params,
+				  double, action_tolerance,
+				  double, action_mixcg_inner_tolerance,
+				  double, md_tolerance,
+				  double, md_mixcg_inner_tolerance);
+
+  EOFAparameters() { 
+    action_mixcg_inner_tolerance = 1e-8;
+    action_tolerance = 1e-10;
+    md_tolerance = 1e-8;
+    md_mixcg_inner_tolerance = 1e-8;
+
+    rat_params.lo = 0.1;
+    rat_params.hi = 25.0;
+    rat_params.MaxIter  = 10000;
+    rat_params.tolerance= 1.0e-9;
+    rat_params.degree   = 14;
+    rat_params.precision= 50;
+  }
+};
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  EOFAparameters, eofa_l,
+				  RatQuoParameters, rat_quo_s,
+				  RatQuoParameters, rat_quo_DSDR);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+//action_or_md toggles checking the action (0), MD (1) or both (2) setups
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr, int action_or_md){
+  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
+  
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+
+  PowerMethod<FermionFieldD> power_method;
+  RealD lambda_max;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
+
+  lambda_max = power_method(MdagM,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
+  lambda_max = power_method(VdagV,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  if(action_or_md == 0 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  if(action_or_md == 1 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+}
+
+
+template<typename FermionImplPolicy>
+void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  RealD scale = std::sqrt(0.5);
+  gaussian(rng,eta); eta = eta * scale;
+
+  //Use the inbuilt check
+  EOFA.refresh(latt, eta);
+  EOFA.S(latt);
+  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
+}
+
+
+template<typename FermionImplPolicy>
+class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
+  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
+}
+
+//Applications of M^{-1} cost the same as M for EOFA!
+template<typename FermionImplPolicy>
+class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
+  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
+}
+
+
+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* 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.) 
+    { 
+    };
+
+    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);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+NAMESPACE_END(Grid);
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    {
+      Grid::XmlWriter wr(param_file + ".templ");
+      write(wr, "Params", user_params);
+    }
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+
+  typedef GparityMobiusEOFAFermionD EOFAactionD;
+  typedef GparityMobiusFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityMobiusEOFAFermionF EOFAactionF;
+  typedef GparityMobiusFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  Real beta         = 1.75;
+  Real light_mass   = 0.0042; //240 MeV
+  Real strange_mass = 0.045;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD mobius_scale = 32./12.; //b+c
+
+  RealD mob_bmc = 1.0;
+  RealD mob_b = (mobius_scale + mob_bmc)/2.;
+  RealD mob_c = (mobius_scale - mob_bmc)/2.;
+
+  //Setup the Grids
+  auto UGridD   = TheHMC.Resources.GetCartesian();
+  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
+
+  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(UGridD);
+  LatticeGaugeFieldF Uf(UGridF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(1); //DSDR
+  ActionLevel<HMCWrapper::Field> Level3(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light EOFA action
+  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
+  /////////////////////////////////////////////////////////////
+
+  EOFAactionD LopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
+  EOFAactionF LopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
+  EOFAactionD RopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
+  EOFAactionF RopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
+
+  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
+  
+  EOFAschuropD linopL_D(LopD);
+  EOFAschuropD linopR_D(RopD);
+
+  EOFAschuropF linopL_F(LopF);
+  EOFAschuropF linopR_F(RopF);
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+
+  EOFA_mxCG ActionMCG_L(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
+  ActionMCG_L.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
+  
+  EOFA_mxCG ActionMCG_R(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
+  ActionMCG_R.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
+
+  EOFA_mxCG DerivMCG_L(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
+  DerivMCG_L.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
+
+  EOFA_mxCG DerivMCG_R(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
+  DerivMCG_R.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
+
+  std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+  std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+  ConjugateGradient<FermionFieldD>      ActionCG(user_params.eofa_l.action_tolerance, 10000);
+  ConjugateGradient<FermionFieldD>  DerivativeCG(user_params.eofa_l.md_tolerance, 10000);
+
+  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
+  // 								   ActionCG, ActionCG, ActionCG, 
+  // 								   DerivativeCG, DerivativeCG, 
+  // 								   user_params.eofa_l.rat_params, true);
+
+  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
+  // 								   ActionMCG_L, ActionMCG_R, 
+  // 								   ActionMCG_L, ActionMCG_R, 
+  // 								   DerivMCG_L, DerivMCG_R, 
+  // 								   user_params.eofa_l.rat_params, true);
+
+  ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFA(LopF, RopF,
+													LopD, RopD, 
+													ActionMCG_L, ActionMCG_R, 
+													ActionMCG_L, ActionMCG_R, 
+													DerivMCG_L, DerivMCG_R, 
+													user_params.eofa_l.rat_params, true);
+
+
+  Level1.push_back(&EOFA);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+  ///////////////////////////////////
+  // DSDR action
+  ///////////////////////////////////
+  RealD dsdr_mass=-1.8;   
+  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
+  RealD dsdr_epsilon_b = 0.5; 
+  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
+  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
+
+  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
+  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
+ 
+  RationalActionParams rat_act_params_DSDR;
+  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_DSDR.precision= 60;
+  rat_act_params_DSDR.MaxIter  = 10000;
+  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
+  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
+  Level2.push_back(&Quotient_DSDR);
+
+  /////////////////////////////////////////////////////////////
+  // 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;
+
+
+  //Action tuning
+  bool 
+    tune_rhmc_s=false, eigenrange_s=false, 
+    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
+    check_eofa=false, 
+    upper_bound_eofa=false, lower_bound_eofa(false);
+
+  std::string lanc_params_s;
+  std::string lanc_params_DSDR;
+  int tune_rhmc_s_action_or_md;
+  int tune_rhmc_DSDR_action_or_md;
+
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_s"){
+      assert(i < argc-1);
+      tune_rhmc_s=true;
+      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+    else if(sarg == "--tune_rhmc_DSDR"){
+      assert(i < argc-1);
+      tune_rhmc_DSDR=true;
+      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_DSDR"){
+      assert(i < argc-1);
+      eigenrange_DSDR=true;
+      lanc_params_DSDR = argv[i+1];
+    }
+    else if(sarg == "--check_eofa") check_eofa = true;
+    else if(sarg == "--upper_bound_eofa") upper_bound_eofa = true;
+    else if(sarg == "--lower_bound_eofa") lower_bound_eofa = true;
+  }
+  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
+    std::cout << GridLogMessage << "Running checks" << std::endl;
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+
+    std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+    std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+
+    if(check_eofa) checkEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(upper_bound_eofa) upperBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(lower_bound_eofa) lowerBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
+    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
+
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main

HMC/Mobius2p1fIDSDRGparityEOFA_40ID.cc

@@ -0,0 +1,918 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//Production binary for the 40ID G-parity ensemble
+
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+struct EOFAparameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
+				  OneFlavourRationalParams, rat_params,
+				  double, action_tolerance,
+				  double, action_mixcg_inner_tolerance,
+				  double, md_tolerance,
+				  double, md_mixcg_inner_tolerance);
+
+  EOFAparameters() { 
+    action_mixcg_inner_tolerance = 1e-8;
+    action_tolerance = 1e-10;
+    md_tolerance = 1e-8;
+    md_mixcg_inner_tolerance = 1e-8;
+
+    rat_params.lo = 1.0;
+    rat_params.hi = 25.0;
+    rat_params.MaxIter  = 50000;
+    rat_params.tolerance= 1.0e-9;
+    rat_params.degree   = 14;
+    rat_params.precision= 50;
+  }
+};
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+				  RealD, TrajectoryLength,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  std::vector<EOFAparameters>, eofa_l,
+				  RatQuoParameters, rat_quo_s,
+				  RatQuoParameters, rat_quo_DSDR);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+    TrajectoryLength = 1.0;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 50000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+//action_or_md toggles checking the action (0), MD (1) or both (2) setups
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr, int action_or_md){
+  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
+  
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+
+  PowerMethod<FermionFieldD> power_method;
+  RealD lambda_max;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
+
+  lambda_max = power_method(MdagM,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
+  lambda_max = power_method(VdagV,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  if(action_or_md == 0 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  if(action_or_md == 1 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 50000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+}
+
+
+template<typename FermionImplPolicy>
+void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  RealD scale = std::sqrt(0.5);
+  gaussian(rng,eta); eta = eta * scale;
+
+  //Use the inbuilt check
+  EOFA.refresh(latt, eta);
+  EOFA.S(latt);
+  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
+}
+
+
+template<typename FermionImplPolicy>
+class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
+  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
+}
+
+//Applications of M^{-1} cost the same as M for EOFA!
+template<typename FermionImplPolicy>
+class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
+  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
+}
+
+
+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* 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.) 
+    { 
+    };
+
+    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);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+
+
+  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+  class MixedPrecisionReliableUpdateConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+  public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD Tolerance;
+    Integer MaxIterations;
+
+    RealD Delta; //reliable update parameter
+
+    GridBase* SinglePrecGrid4; //Grid for single-precision fields
+    GridBase* SinglePrecGrid5; //Grid for single-precision fields
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+    
+    MixedPrecisionReliableUpdateConjugateGradientOperatorFunction(RealD tol, 
+								  RealD delta,
+								  Integer maxit, 
+								  GridBase* _sp_grid4, 
+								  GridBase* _sp_grid5, 
+								  FermionOperatorF &_FermOpF,
+								  FermionOperatorD &_FermOpD,
+								  SchurOperatorF   &_LinOpF,
+								  SchurOperatorD   &_LinOpD): 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      Delta(delta),
+      MaxIterations(maxit), 
+      SinglePrecGrid4(_sp_grid4),
+      SinglePrecGrid5(_sp_grid5)
+    { 
+    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
+
+      std::cout << GridLogMessage << " Mixed precision reliable CG update wrapper operator() "<<std::endl;
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+
+      ConjugateGradientReliableUpdate<FieldD,FieldF> MPCG(Tolerance,MaxIterations,Delta,SinglePrecGrid5,LinOpF,LinOpD);
+      std::cout << GridLogMessage << "Calling mixed precision reliable update Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+
+
+NAMESPACE_END(Grid);
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+
+  std::string serial_seeds = "1 2 3 4 5";
+  std::string parallel_seeds = "6 7 8 9 10";
+
+  int i=1;
+  while(i < argc){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+      i+=2;
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+      i++;
+    }else if(sarg == "--set_seeds"){ //set the rng seeds. Expects two vector args, e.g.  --set_seeds 1.2.3.4 5.6.7.8
+      assert(i < argc-2);
+      std::vector<int> tmp;
+      GridCmdOptionIntVector(argv[i+1],tmp);
+      {
+	std::stringstream ss;
+	for(int j=0;j<tmp.size()-1;j++) ss << tmp[j] << " ";
+	ss << tmp.back();
+	serial_seeds = ss.str();
+      }
+      GridCmdOptionIntVector(argv[i+2],tmp);
+      {
+	std::stringstream ss;
+	for(int j=0;j<tmp.size()-1;j++) ss << tmp[j] << " ";
+	ss << tmp.back();
+	parallel_seeds = ss.str();
+      }
+      i+=3;
+      std::cout << GridLogMessage << "Set serial seeds to " << serial_seeds << std::endl;
+      std::cout << GridLogMessage << "Set parallel seeds to " << parallel_seeds << std::endl;
+      
+    }else{
+      i++;
+    }
+  }
+
+  
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    {
+      Grid::XmlWriter wr(param_file + ".templ");
+      write(wr, "Params", user_params);
+    }
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+
+  typedef GparityMobiusEOFAFermionD EOFAactionD;
+  typedef GparityMobiusFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityMobiusEOFAFermionF EOFAactionF;
+  typedef GparityMobiusFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  MD.name    = std::string("MinimumNorm2");
+
+  // typedef ConjugateHMCRunnerD<ForceGradient> HMCWrapper;
+  // MD.name    = std::string("ForceGradient");
+  
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = user_params.TrajectoryLength;
+
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = serial_seeds;
+  RNGpar.parallel_seeds = parallel_seeds;
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+  //aiming for ainv=1.723 GeV
+  //                                  me         bob
+  //Estimated  a(ml+mres) [40ID] = 0.001305    0.00131
+  //           a(mh+mres) [40ID] = 0.035910    0.03529
+  //Estimate Ls=12, b+c=2  mres~0.0011
+
+  //1/24/2022 initial mres measurement gives mres=0.001,  adjusted light quark mass to 0.0003 from 0.0001
+  
+  const int Ls      = 12;
+  Real beta         = 1.848;
+  Real light_mass   = 0.0003;
+  Real strange_mass = 0.0342;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD mobius_scale = 2.; //b+c
+
+  RealD mob_bmc = 1.0;
+  RealD mob_b = (mobius_scale + mob_bmc)/2.;
+  RealD mob_c = (mobius_scale - mob_bmc)/2.;
+
+  std::cout << GridLogMessage
+	    << "Ensemble parameters:" << std::endl
+	    << "Ls=" << Ls << std::endl
+	    << "beta=" << beta << std::endl
+	    << "light_mass=" << light_mass << std::endl
+	    << "strange_mass=" << strange_mass << std::endl
+	    << "mobius_scale=" << mobius_scale << std::endl;
+  
+  //Setup the Grids
+  auto UGridD   = TheHMC.Resources.GetCartesian();
+  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
+
+  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(UGridD);
+  LatticeGaugeFieldF Uf(UGridF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(4); //DSDR
+  ActionLevel<HMCWrapper::Field> Level3(2); //gauge
+
+
+  /////////////////////////////////////////////////////////////
+  // Light EOFA action
+  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
+  /////////////////////////////////////////////////////////////
+  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
+  typedef ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFAmixPrecPFaction;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+  typedef MixedPrecisionReliableUpdateConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_relupCG;
+
+
+  std::vector<RealD> eofa_light_masses = { light_mass ,  0.004,   0.016,   0.064,   0.256    };
+  std::vector<RealD> eofa_pv_masses =    { 0.004       , 0.016,   0.064,   0.256,   1.0      };
+  int n_light_hsb = 5;
+  assert(user_params.eofa_l.size() == n_light_hsb);
+  
+  EOFAmixPrecPFaction* EOFA_pfactions[n_light_hsb];
+
+  for(int i=0;i<n_light_hsb;i++){
+    RealD iml = eofa_light_masses[i];
+    RealD ipv = eofa_pv_masses[i];
+
+    EOFAactionD* LopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionF* LopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionD* RopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+    EOFAactionF* RopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+
+    EOFAschuropD* linopL_D = new EOFAschuropD(*LopD);
+    EOFAschuropD* linopR_D = new EOFAschuropD(*RopD);
+    
+    EOFAschuropF* linopL_F = new EOFAschuropF(*LopF);
+    EOFAschuropF* linopR_F = new EOFAschuropF(*RopF);
+
+#if 1
+    //Note reusing user_params.eofa_l.action(|md)_mixcg_inner_tolerance  as Delta for now
+    EOFA_relupCG* ActionMCG_L = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    EOFA_relupCG* ActionMCG_R = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+
+    EOFA_relupCG* DerivMCG_L = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    EOFA_relupCG* DerivMCG_R = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+
+#else
+    EOFA_mxCG* ActionMCG_L = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 50000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    ActionMCG_L->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* ActionMCG_R = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 50000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    ActionMCG_R->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_L = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 50000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    DerivMCG_L->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_R = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 50000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    DerivMCG_R->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L->Tolerance << " inner=" << ActionMCG_L->InnerTolerance << std::endl;
+    std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L->Tolerance << " inner=" << DerivMCG_L->InnerTolerance << std::endl;
+#endif
+
+    EOFAmixPrecPFaction* EOFA = new EOFAmixPrecPFaction(*LopF, *RopF,
+							*LopD, *RopD, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*DerivMCG_L, *DerivMCG_R, 
+							user_params.eofa_l[i].rat_params, true);
+    EOFA_pfactions[i] = EOFA;
+    Level1.push_back(EOFA);
+  }
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 50000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+  ///////////////////////////////////
+  // DSDR action
+  ///////////////////////////////////
+  RealD dsdr_mass=-1.8;   
+  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
+  RealD dsdr_epsilon_b = 0.5; 
+  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
+  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
+
+  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
+  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
+ 
+  RationalActionParams rat_act_params_DSDR;
+  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_DSDR.precision= 60;
+  rat_act_params_DSDR.MaxIter  = 50000;
+  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
+  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
+  Level2.push_back(&Quotient_DSDR);
+
+  /////////////////////////////////////////////////////////////
+  // 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;
+
+
+  //Action tuning
+  bool 
+    tune_rhmc_s=false, eigenrange_s=false, 
+    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
+    check_eofa=false, 
+    upper_bound_eofa=false, lower_bound_eofa(false);
+
+  std::string lanc_params_s;
+  std::string lanc_params_DSDR;
+  int tune_rhmc_s_action_or_md;
+  int tune_rhmc_DSDR_action_or_md;
+  int eofa_which_hsb;
+
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_s"){
+      assert(i < argc-1);
+      tune_rhmc_s=true;
+      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+    else if(sarg == "--tune_rhmc_DSDR"){
+      assert(i < argc-1);
+      tune_rhmc_DSDR=true;
+      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_DSDR"){
+      assert(i < argc-1);
+      eigenrange_DSDR=true;
+      lanc_params_DSDR = argv[i+1];
+    }
+    else if(sarg == "--check_eofa"){
+      assert(i < argc-1);
+      check_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]); //-1 indicates all hasenbusch
+      assert(eofa_which_hsb == -1 || (eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb) );
+    }
+    else if(sarg == "--upper_bound_eofa"){
+      assert(i < argc-1);
+      upper_bound_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+    else if(sarg == "--lower_bound_eofa"){
+      assert(i < argc-1);
+      lower_bound_eofa = true;      
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+  }
+  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
+    std::cout << GridLogMessage << "Running checks" << std::endl;
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+
+    //std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+    //std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+    if(check_eofa){
+      if(eofa_which_hsb >= 0){
+	std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+	checkEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+      }else{
+	for(int i=0;i<n_light_hsb;i++){
+	  std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << i << std::endl;
+	  checkEOFA(*EOFA_pfactions[i], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	  std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << i << std::endl;
+	}
+      }
+    }	  
+    if(upper_bound_eofa) upperBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(lower_bound_eofa) lowerBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
+    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
+
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main

HMC/Mobius2p1fIDSDRGparityEOFA_48ID.cc

@@ -0,0 +1,793 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//Production binary for the 40ID G-parity ensemble
+
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+struct EOFAparameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
+				  OneFlavourRationalParams, rat_params,
+				  double, action_tolerance,
+				  double, action_mixcg_inner_tolerance,
+				  double, md_tolerance,
+				  double, md_mixcg_inner_tolerance);
+
+  EOFAparameters() { 
+    action_mixcg_inner_tolerance = 1e-8;
+    action_tolerance = 1e-10;
+    md_tolerance = 1e-8;
+    md_mixcg_inner_tolerance = 1e-8;
+
+    rat_params.lo = 1.0;
+    rat_params.hi = 25.0;
+    rat_params.MaxIter  = 10000;
+    rat_params.tolerance= 1.0e-9;
+    rat_params.degree   = 14;
+    rat_params.precision= 50;
+  }
+};
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+				  RealD, TrajectoryLength,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  std::vector<EOFAparameters>, eofa_l,
+				  RatQuoParameters, rat_quo_s,
+				  RatQuoParameters, rat_quo_DSDR);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+    TrajectoryLength = 1.0;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+//action_or_md toggles checking the action (0), MD (1) or both (2) setups
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr, int action_or_md){
+  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
+  
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+
+  PowerMethod<FermionFieldD> power_method;
+  RealD lambda_max;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
+
+  lambda_max = power_method(MdagM,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
+  lambda_max = power_method(VdagV,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  if(action_or_md == 0 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  if(action_or_md == 1 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+}
+
+
+template<typename FermionImplPolicy>
+void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  RealD scale = std::sqrt(0.5);
+  gaussian(rng,eta); eta = eta * scale;
+
+  //Use the inbuilt check
+  EOFA.refresh(latt, eta);
+  EOFA.S(latt);
+  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
+}
+
+
+template<typename FermionImplPolicy>
+class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
+  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
+}
+
+//Applications of M^{-1} cost the same as M for EOFA!
+template<typename FermionImplPolicy>
+class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
+  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
+}
+
+
+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* 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.) 
+    { 
+    };
+
+    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);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+NAMESPACE_END(Grid);
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    {
+      Grid::XmlWriter wr(param_file + ".templ");
+      write(wr, "Params", user_params);
+    }
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+
+  typedef GparityMobiusEOFAFermionD EOFAactionD;
+  typedef GparityMobiusFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityMobiusEOFAFermionF EOFAactionF;
+  typedef GparityMobiusFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = user_params.TrajectoryLength;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  //aiming for ainv=2.068             me          Bob
+  //Estimated  a(ml+mres) [48ID] = 0.001048    0.00104 
+  //           a(mh+mres) [48ID] = 0.028847    0.02805
+  //Estimate Ls=12, b+c=2  mres~0.0003
+
+  const int Ls      = 12;
+  Real beta         = 1.946;
+  Real light_mass   = 0.00074;   //0.00104 - mres_approx;
+  Real strange_mass = 0.02775;    //0.02805 - mres_approx
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD mobius_scale = 2.; //b+c
+
+  RealD mob_bmc = 1.0;
+  RealD mob_b = (mobius_scale + mob_bmc)/2.;
+  RealD mob_c = (mobius_scale - mob_bmc)/2.;
+
+  //Setup the Grids
+  auto UGridD   = TheHMC.Resources.GetCartesian();
+  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
+
+  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(UGridD);
+  LatticeGaugeFieldF Uf(UGridF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(4); //DSDR
+  ActionLevel<HMCWrapper::Field> Level3(2); //gauge
+
+
+  /////////////////////////////////////////////////////////////
+  // Light EOFA action
+  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
+  /////////////////////////////////////////////////////////////
+  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
+  typedef ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFAmixPrecPFaction;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+
+  std::vector<RealD> eofa_light_masses = { light_mass ,  0.004,   0.016,   0.064,   0.256    };
+  std::vector<RealD> eofa_pv_masses =    { 0.004       , 0.016,   0.064,   0.256,   1.0      };
+  int n_light_hsb = 5;
+  assert(user_params.eofa_l.size() == n_light_hsb);
+  
+  EOFAmixPrecPFaction* EOFA_pfactions[n_light_hsb];
+
+  for(int i=0;i<n_light_hsb;i++){
+    RealD iml = eofa_light_masses[i];
+    RealD ipv = eofa_pv_masses[i];
+
+    EOFAactionD* LopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionF* LopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionD* RopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+    EOFAactionF* RopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+
+    EOFAschuropD* linopL_D = new EOFAschuropD(*LopD);
+    EOFAschuropD* linopR_D = new EOFAschuropD(*RopD);
+    
+    EOFAschuropF* linopL_F = new EOFAschuropF(*LopF);
+    EOFAschuropF* linopR_F = new EOFAschuropF(*RopF);
+
+    EOFA_mxCG* ActionMCG_L = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    ActionMCG_L->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* ActionMCG_R = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    ActionMCG_R->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_L = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    DerivMCG_L->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_R = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    DerivMCG_R->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L->Tolerance << " inner=" << ActionMCG_L->InnerTolerance << std::endl;
+    std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L->Tolerance << " inner=" << DerivMCG_L->InnerTolerance << std::endl;
+
+    EOFAmixPrecPFaction* EOFA = new EOFAmixPrecPFaction(*LopF, *RopF,
+							*LopD, *RopD, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*DerivMCG_L, *DerivMCG_R, 
+							user_params.eofa_l[i].rat_params, true);
+    EOFA_pfactions[i] = EOFA;
+    Level1.push_back(EOFA);
+  }
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+  ///////////////////////////////////
+  // DSDR action
+  ///////////////////////////////////
+  RealD dsdr_mass=-1.8;   
+  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
+  RealD dsdr_epsilon_b = 0.5; 
+  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
+  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
+
+  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
+  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
+ 
+  RationalActionParams rat_act_params_DSDR;
+  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_DSDR.precision= 60;
+  rat_act_params_DSDR.MaxIter  = 10000;
+  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
+  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
+  Level2.push_back(&Quotient_DSDR);
+
+  /////////////////////////////////////////////////////////////
+  // 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;
+
+
+  //Action tuning
+  bool 
+    tune_rhmc_s=false, eigenrange_s=false, 
+    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
+    check_eofa=false, 
+    upper_bound_eofa=false, lower_bound_eofa(false);
+
+  std::string lanc_params_s;
+  std::string lanc_params_DSDR;
+  int tune_rhmc_s_action_or_md;
+  int tune_rhmc_DSDR_action_or_md;
+  int eofa_which_hsb;
+
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_s"){
+      assert(i < argc-1);
+      tune_rhmc_s=true;
+      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+    else if(sarg == "--tune_rhmc_DSDR"){
+      assert(i < argc-1);
+      tune_rhmc_DSDR=true;
+      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_DSDR"){
+      assert(i < argc-1);
+      eigenrange_DSDR=true;
+      lanc_params_DSDR = argv[i+1];
+    }
+    else if(sarg == "--check_eofa"){
+      assert(i < argc-1);
+      check_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]); //-1 indicates all hasenbusch
+      assert(eofa_which_hsb == -1 || (eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb) );
+    }
+    else if(sarg == "--upper_bound_eofa"){
+      assert(i < argc-1);
+      upper_bound_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+    else if(sarg == "--lower_bound_eofa"){
+      assert(i < argc-1);
+      lower_bound_eofa = true;      
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+  }
+  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
+    std::cout << GridLogMessage << "Running checks" << std::endl;
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+
+    //std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+    //std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+
+    if(check_eofa){
+      if(eofa_which_hsb >= 0){
+	std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+	checkEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+      }else{
+	for(int i=0;i<n_light_hsb;i++){
+	  std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << i << std::endl;
+	  checkEOFA(*EOFA_pfactions[i], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	  std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << i << std::endl;
+	}
+      }
+    }	  
+    if(upper_bound_eofa) upperBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(lower_bound_eofa) lowerBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
+    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
+
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main

HMC/Mobius2p1fRHMC.cc

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

HMC/Mobius2p1fRHMC_4dPseudoFermion.cc

@@ -1,197 +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 = 10;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 137;
-  HMCparams.Trajectories     = 200;
-  HMCparams.NoMetropolisUntil=  0;
-  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  //  HMCparams.StartingType     =std::string("ColdStart");
-  HMCparams.StartingType     =std::string("CheckpointStart");
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_EODWF_lat";
-  CPparams.rng_prefix    = "ckpoint_EODWF_rng";
-  CPparams.saveInterval  = 1;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  // Construct observables
-  // here there is too much indirection
-  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 16;
-  Real beta         = 2.13;
-  Real light_mass   = 0.01;
-  Real strange_mass = 0.04;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-  RealD b   = 1.0;
-  RealD c   = 0.0;
-
-  // FIXME:
-  // Same in MC and MD
-  // Need to mix precision too
-  OneFlavourRationalParams OFRp;
-  OFRp.lo       = 4.0e-3;
-  OFRp.hi       = 30.0;
-  OFRp.MaxIter  = 10000;
-  OFRp.tolerance= 1.0e-10;
-  OFRp.degree   = 16;
-  OFRp.precision= 50;
-
-  std::vector<Real> hasenbusch({ 0.1 });
-
-  auto GridPtr   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
-  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
-
-  IwasakiGaugeActionR GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-
-  // These lines are unecessary if BC are all periodic
-  std::vector<Complex> boundary = {1,1,1,-1};
-  FermionAction::ImplParams Params(boundary);
-
-  double StoppingCondition = 1e-10;
-  double MaxCGIterations = 30000;
-  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(8);
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-
-  //  FermionAction StrangeOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_mass,M5,b,c, Params);
-  //  DomainWallEOFAFermionR Strange_Op_L(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, shift_L, pm, M5);
-  //  DomainWallEOFAFermionR Strange_Op_R(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, shift_R, pm, M5);
-  //  ExactOneFlavourRatioPseudoFermionAction EOFA(Strange_Op_L,Strange_Op_R,CG,ofp, false);
-
-  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
-  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
-
-  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermion(StrangePauliVillarsOp,StrangeOp,OFRp);
-  Level1.push_back(&StrangePseudoFermion);
-
-  ////////////////////////////////////
-  // up down action
-  ////////////////////////////////////
-  std::vector<Real> light_den;
-  std::vector<Real> light_num;
-
-  int n_hasenbusch = hasenbusch.size();
-  light_den.push_back(light_mass);
-  for(int h=0;h<n_hasenbusch;h++){
-    light_den.push_back(hasenbusch[h]);
-    light_num.push_back(hasenbusch[h]);
-  }
-  light_num.push_back(pv_mass);
-
-  std::vector<FermionAction *> Numerators;
-  std::vector<FermionAction *> Denominators;
-  std::vector<TwoFlavourRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
-    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
-    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
-    Quotients.push_back   (new TwoFlavourRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
-  }
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    Level1.push_back(Quotients[h]);
-  }
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level2.push_back(&GaugeAction);
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-  /////////////////////////////////////////////////////////////
-  // HMC parameters are serialisable
-
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();  // no smearing
-
-  Grid_finalize();
-} // main
-
-
-

HMC/Mobius2p1fRHMC_4dPseudoFermionSchurSolver.cc

@@ -1,198 +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>
-
-This program is free software; you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation; either version 2 of the License, or
-(at your option) any later version.
-
-This program is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-GNU General Public License for more details.
-
-You should have received a copy of the GNU General Public License along
-with this program; if not, write to the Free Software Foundation, Inc.,
-51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-See the full license in the file "LICENSE" in the top level distribution
-directory
-*************************************************************************************/
-/*  END LEGAL */
-#include <Grid/Grid.h>
-#include <Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h>
-#include <Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h>
-
-int main(int argc, char **argv) {
-  using namespace Grid;
-
-  Grid_init(&argc, &argv);
-  int threads = GridThread::GetThreads();
-  // here make a routine to print all the relevant information on the run
-  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
-
-   // Typedefs to simplify notation
-  typedef WilsonImplR FermionImplPolicy;
-  typedef MobiusFermionR FermionAction;
-  typedef typename FermionAction::FermionField FermionField;
-
-  typedef Grid::XmlReader       Serialiser;
-
-  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
-  IntegratorParameters MD;
-  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
-  //  MD.name    = std::string("Leap Frog");
-  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
-  //  MD.name    = std::string("Force Gradient");
-  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
-  MD.name    = std::string("MinimumNorm2");
-  MD.MDsteps = 12;
-  MD.trajL   = 1.0;
-
-  HMCparameters HMCparams;
-  HMCparams.StartTrajectory  = 211;
-  HMCparams.Trajectories     = 200;
-  HMCparams.NoMetropolisUntil=  0;
-  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
-  //  HMCparams.StartingType     =std::string("ColdStart");
-  HMCparams.StartingType     =std::string("CheckpointStart");
-  HMCparams.MD = MD;
-  HMCWrapper TheHMC(HMCparams);
-
-  // Grid from the command line arguments --grid and --mpi
-  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
-
-  CheckpointerParameters CPparams;
-  CPparams.config_prefix = "ckpoint_4dDWF_lat";
-  CPparams.rng_prefix    = "ckpoint_4dDWF_rng";
-  CPparams.saveInterval  = 1;
-  CPparams.format        = "IEEE64BIG";
-  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
-
-  RNGModuleParameters RNGpar;
-  RNGpar.serial_seeds = "1 2 3 4 5";
-  RNGpar.parallel_seeds = "6 7 8 9 10";
-  TheHMC.Resources.SetRNGSeeds(RNGpar);
-
-  // Construct observables
-  // here there is too much indirection
-  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
-  TheHMC.Resources.AddObservable<PlaqObs>();
-  //////////////////////////////////////////////
-
-  const int Ls      = 16;
-  Real beta         = 2.13;
-  Real light_mass   = 0.01;
-  Real strange_mass = 0.04;
-  Real pv_mass      = 1.0;
-  RealD M5  = 1.8;
-  RealD b   = 1.0;
-  RealD c   = 0.0;
-
-  // FIXME:
-  // Same in MC and MD
-  // Need to mix precision too
-  OneFlavourRationalParams OFRp;
-  OFRp.lo       = 4.0e-3;
-  OFRp.hi       = 30.0;
-  OFRp.MaxIter  = 10000;
-  OFRp.tolerance= 1.0e-10;
-  OFRp.degree   = 16;
-  OFRp.precision= 50;
-
-  std::vector<Real> hasenbusch({ 0.1 });
-
-  auto GridPtr   = TheHMC.Resources.GetCartesian();
-  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
-  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
-  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
-
-  IwasakiGaugeActionR GaugeAction(beta);
-
-  // temporarily need a gauge field
-  LatticeGaugeField U(GridPtr);
-
-  // These lines are unecessary if BC are all periodic
-  std::vector<Complex> boundary = {1,1,1,-1};
-  FermionAction::ImplParams Params(boundary);
-
-  double StoppingCondition = 1e-10;
-  double MaxCGIterations = 30000;
-  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
-
-  ////////////////////////////////////
-  // Collect actions
-  ////////////////////////////////////
-  ActionLevel<HMCWrapper::Field> Level1(1);
-  ActionLevel<HMCWrapper::Field> Level2(8);
-
-  ////////////////////////////////////
-  // Strange action
-  ////////////////////////////////////
-
-  //  FermionAction StrangeOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_mass,M5,b,c, Params);
-  //  DomainWallEOFAFermionR Strange_Op_L(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, shift_L, pm, M5);
-  //  DomainWallEOFAFermionR Strange_Op_R(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, shift_R, pm, M5);
-  //  ExactOneFlavourRatioPseudoFermionAction EOFA(Strange_Op_L,Strange_Op_R,CG,ofp, false);
-
-  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
-  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
-
-  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermion(StrangePauliVillarsOp,StrangeOp,OFRp);
-  Level1.push_back(&StrangePseudoFermion);
-
-  ////////////////////////////////////
-  // up down action
-  ////////////////////////////////////
-  std::vector<Real> light_den;
-  std::vector<Real> light_num;
-
-  int n_hasenbusch = hasenbusch.size();
-  light_den.push_back(light_mass);
-  for(int h=0;h<n_hasenbusch;h++){
-    light_den.push_back(hasenbusch[h]);
-    light_num.push_back(hasenbusch[h]);
-  }
-  light_num.push_back(pv_mass);
-
-  std::vector<FermionAction *> Numerators;
-  std::vector<FermionAction *> Denominators;
-  std::vector<TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy> *> Quotients;
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    std::cout << GridLogMessage << " 2f quotient Action  "<< light_num[h] << " / " << light_den[h]<< std::endl;
-    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
-    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
-    Quotients.push_back   (new TwoFlavourRatioEO4DPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
-  }
-
-  for(int h=0;h<n_hasenbusch+1;h++){
-    Level1.push_back(Quotients[h]);
-  }
-
-  /////////////////////////////////////////////////////////////
-  // Gauge action
-  /////////////////////////////////////////////////////////////
-  Level2.push_back(&GaugeAction);
-  TheHMC.TheAction.push_back(Level1);
-  TheHMC.TheAction.push_back(Level2);
-  std::cout << GridLogMessage << " Action complete "<< std::endl;
-
-  /////////////////////////////////////////////////////////////
-  // HMC parameters are serialisable
-
-  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
-  TheHMC.Run();  // no smearing
-
-  Grid_finalize();
-} // main
-
-
-

TODO

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

benchmarks/Benchmark_dwf_fp32.cc

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

examples/Example_wall_wall_spectrum.cc

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

systems/Summit/config-command

@@ -1,14 +0,0 @@
-../../configure --enable-comms=mpi \
-	      --enable-simd=GPU \
-	      --enable-gen-simd-width=32 \
-	      --enable-unified=no \
-	       --enable-shm=nvlink \
-	       --disable-gparity \
-	       --enable-setdevice \
-	       --disable-fermion-reps \
-	       --enable-accelerator=cuda \
-	       --prefix /ccs/home/paboyle/prefix \
-	       CXX=nvcc \
-	       LDFLAGS=-L/ccs/home/paboyle/prefix/lib/ \
-	       CXXFLAGS="-ccbin mpicxx -gencode arch=compute_70,code=sm_70 -I/ccs/home/paboyle/prefix/include/ -std=c++14"
-

systems/Summit/dwf16.lsf

@@ -1,25 +0,0 @@
-#!/bin/bash
-#BSUB -P LGT104
-#BSUB -W 2:00
-#BSUB -nnodes 4
-#BSUB -J DWF
-
-export OMP_NUM_THREADS=6
-export PAMI_IBV_ADAPTER_AFFINITY=1
-export PAMI_ENABLE_STRIPING=1
-export OPT="--comms-concurrent --comms-overlap "
-
-APP="./benchmarks/Benchmark_comms_host_device  --mpi 2.2.2.3 "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-APP="./benchmarks/Benchmark_dwf_fp32 --grid 48.48.48.72 --mpi 2.2.2.3 --shm 1024 --shm-force-mpi 1 --device-mem 8000 --shm-force-mpi 1 $OPT "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-APP="./benchmarks/Benchmark_dwf_fp32 --grid 64.64.64.96 --mpi 2.2.2.3 --shm 1024 --shm-force-mpi 1 --device-mem 8000 --shm-force-mpi 1 $OPT "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-
-
-
-
-

systems/Summit/dwf4.lsf

@@ -1,25 +0,0 @@
-#!/bin/bash
-#BSUB -P LGT104
-#BSUB -W 2:00
-#BSUB -nnodes 4
-#BSUB -J DWF
-
-export OMP_NUM_THREADS=6
-export PAMI_IBV_ADAPTER_AFFINITY=1
-export PAMI_ENABLE_STRIPING=1
-export OPT="--comms-concurrent --comms-overlap "
-#export GRID_ALLOC_NCACHE_LARGE=1
-export APP="./benchmarks/Benchmark_comms_host_device  --mpi 2.2.2.3 "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-APP="./benchmarks/Benchmark_dwf_fp32 --grid 48.48.48.72 --mpi 2.2.2.3 --shm 1024 --shm-force-mpi 1 --device-mem 8000 --shm-force-mpi 1 $OPT "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-APP="./benchmarks/Benchmark_dwf_fp32 --grid 64.64.64.96 --mpi 2.2.2.3 --shm 1024 --shm-force-mpi 1 --device-mem 8000 --shm-force-mpi 1 $OPT "
-jsrun --nrs 4 -a6 -g6 -c42 -dpacked -b packed:7 --latency_priority gpu-cpu --smpiargs=-gpu $APP
-
-
-
-
-
-

systems/Summit/sourceme-cuda10.sh

@@ -1,8 +0,0 @@
-export UCX_GDR_COPY_RCACHE=no
-export UCX_MEMTYPE_CACHE=n
-export UCX_RNDV_SCHEME=put_zcopy
-module load gcc/7.5.0
-module load cuda/10.2.89
-#cuda/11.4.0
-export LD_LIBRARY_PATH=/ccs/home/paboyle/prefix/lib/:$LD_LIBRARY_PATH 
-

systems/Tursa/config-command

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

systems/Tursa/dwf.4node.perf

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

systems/Tursa/dwf16.slurm

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

systems/Tursa/dwf4.slurm

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

systems/Tursa/sourceme.sh

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

tests/IO/Test_field_array_io.cc

@@ -0,0 +1,184 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/IO/Test_field_array_io.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+
+//This test demonstrates and checks a single-file write of an arbitrary array of fields
+
+uint64_t writeHeader(const uint32_t size, const uint32_t checksum, const std::string &format, const std::string &file){
+  std::ofstream fout(file,std::ios::out|std::ios::in);
+  fout.seekp(0,std::ios::beg);
+  fout << std::setw(10) << size << std::endl;
+  fout << std::hex << std::setw(10) << checksum << std::endl;
+  fout << format << std::endl;
+  return fout.tellp();
+}
+ 
+uint64_t readHeader(uint32_t &size, uint32_t &checksum, std::string &format, const std::string &file){
+  std::ifstream fin(file);
+  std::string line;
+  getline(fin,line);
+  {
+    std::stringstream ss; ss <<line ; ss >> size;
+  }
+  getline(fin,line);
+  {
+    std::stringstream ss; ss <<line ; ss >> std::hex >> checksum;
+  }
+  getline(fin,format);
+  removeWhitespace(format);
+      
+  return fin.tellg();
+}
+ 
+template<typename FieldType>
+void writeFieldArray(const std::string &file, const std::vector<FieldType> &data){
+  typedef typename FieldType::vector_object vobj;
+  typedef typename FieldType::scalar_object sobj;
+  GridBase* grid = data[0].Grid(); //assume all fields have the same Grid
+  BinarySimpleMunger<sobj, sobj> munge; //straight copy
+
+  //We need a 2-pass header write, first to establish the size, the second pass writes the checksum
+  std::string format = getFormatString<typename FieldType::vector_object>();
+
+  uint64_t offset; //leave 64 bits for header
+  if ( grid->IsBoss() ) { 
+    NerscIO::truncate(file);
+    offset = writeHeader(data.size(), 0, format, file);
+  }
+  grid->Broadcast(0,(void *)&offset,sizeof(offset)); //use as a barrier
+
+  std::cout << "Data offset write " << offset << std::endl;
+  std::cout << "Data size write " << data.size() << std::endl;
+  uint64_t field_size = uint64_t(grid->gSites()) * sizeof(sobj);
+  std::cout << "Field size = " << field_size << " B" << std::endl;
+
+  uint32_t checksum = 0;
+  for(int i=0;i<data.size();i++){
+    std::cout << "Data field write " << i << " offset " << offset << std::endl;
+    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+    BinaryIO::writeLatticeObject<vobj,sobj>(const_cast<FieldType &>(data[i]),file,munge,offset,format,
+					    nersc_csum,scidac_csuma,scidac_csumb);
+    offset += field_size;
+    checksum ^= nersc_csum + 0x9e3779b9 + (checksum<<6) + (checksum>>2);
+  }
+  std::cout << "Write checksum " << checksum << std::endl;
+
+  if ( grid->IsBoss() ) { 
+    writeHeader(data.size(), checksum, format, file);
+  }
+}
+
+
+template<typename FieldType>
+void readFieldArray(std::vector<FieldType> &data, const std::string &file){
+  typedef typename FieldType::vector_object vobj;
+  typedef typename FieldType::scalar_object sobj;
+  assert(data.size() > 0);
+  GridBase* grid = data[0].Grid(); //assume all fields have the same Grid
+  BinarySimpleUnmunger<sobj, sobj> munge; //straight copy
+  
+  uint32_t hdr_checksum, hdr_size;
+  std::string format;
+  uint64_t offset = readHeader(hdr_size, hdr_checksum, format, file);
+  
+  std::cout << "Data offset read " << offset << std::endl;  
+  std::cout << "Data size read " << hdr_size << std::endl;
+  assert(data.size() == hdr_size);
+
+  uint64_t field_size = uint64_t(grid->gSites()) * sizeof(sobj);
+
+  uint32_t checksum = 0;
+
+  for(int i=0;i<data.size();i++){
+    std::cout << "Data field read " << i << " offset " << offset << std::endl;
+    uint32_t nersc_csum,scidac_csuma,scidac_csumb;
+    BinaryIO::readLatticeObject<vobj,sobj>(data[i],file,munge,offset,format,
+					   nersc_csum,scidac_csuma,scidac_csumb);
+    offset += field_size;
+    checksum ^= nersc_csum + 0x9e3779b9 + (checksum<<6) + (checksum>>2);
+  }
+
+  std::cout << "Header checksum " << hdr_checksum << std::endl;    
+  std::cout << "Read checksum " << checksum << std::endl;
+    
+
+  assert( hdr_checksum == checksum );
+}
+
+
+
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  Coordinate latt   = GridDefaultLatt();
+  Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+  Coordinate mpi_layout  = GridDefaultMpi();
+
+  const int Ls=8;
+
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt, simd_layout, mpi_layout);
+  GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  std::vector<int> seeds4({1,2,3,4});
+  std::vector<int> seeds5({5,6,7,8});
+  GridParallelRNG RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+
+  typedef DomainWallFermionD::FermionField FermionField;
+
+  int nfield = 20;
+  std::vector<FermionField> data(nfield, FGrid);
+
+  for(int i=0;i<data.size();i++)
+    gaussian(RNG5, data[i]);
+  
+  std::string file = "test_field_array_io.0";
+  writeFieldArray(file, data);
+
+  std::vector<FermionField> data_r(nfield, FGrid);
+  readFieldArray(data_r, file);
+  
+  for(int i=0;i<nfield;i++){
+    FermionField diff = data_r[i] - data[i];
+    RealD norm_diff = norm2(diff);
+    std::cout << "Norm2 of difference between stored and loaded data index " << i << " : " << norm_diff << std::endl;
+  }
+  
+  std::cout << "Done" << std::endl;
+
+  Grid_finalize();
+}

tests/core/Test_ddhmc_matrices.cc

@@ -1,511 +0,0 @@
-   /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./tests/Test_ddhmc_matrices.cc
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-    /*  END LEGAL */
-#include <Grid/Grid.h>
-
-using namespace std;
-using namespace Grid;
-
-int main (int argc, char ** argv)
-{
-  Grid_init(&argc,&argv);
-
-  int threads = GridThread::GetThreads();
-  std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
-
-  const int Ls=8;
-  const int Nt=32;
-  auto latt = GridDefaultLatt();
-  latt[3] = Nt;
-  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(latt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
-  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
-  GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
-  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
-
-  GridCartesian         * UGridF   = SpaceTimeGrid::makeFourDimGrid(latt, GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
-  GridCartesian         * FGridF   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
-  GridRedBlackCartesian * UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
-  GridRedBlackCartesian * FrbGridF = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
-
-  std::vector<int> seeds4({1,2,3,4});
-  std::vector<int> seeds5({5,6,7,8});
-
-  GridParallelRNG          RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
-  GridParallelRNG          RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
-
-  LatticeFermion src   (FGrid); gaussian(RNG5,src);
-  LatticeFermion phi   (FGrid); gaussian(RNG5,phi);
-  LatticeFermion chi   (FGrid); gaussian(RNG5,chi);
-  LatticeFermion result(FGrid); result=Zero();
-  LatticeFermion    ref(FGrid);    ref=Zero();
-  LatticeFermion    tmp(FGrid);    tmp=Zero();
-  LatticeFermion    tmp1(FGrid);
-  LatticeFermion    err(FGrid);    tmp=Zero();
-  LatticeFermion    zz(FGrid);     zz =Zero();
-  LatticeGaugeField Umu(UGrid); SU<Nc>::HotConfiguration(RNG4,Umu);
-  LatticeGaugeFieldF UmuF(UGridF);
-  precisionChange(UmuF,Umu);
-
-  RealD mass=0.1;
-  RealD M5  =1.8;
-
-  DomainWallFermionR DdwfPeri(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
-  DomainWallFermionF DdwfPeriF(UmuF,*FGridF,*FrbGridF,*UGridF,*UrbGridF,mass,M5);
-
-  typedef DomainWallFermionR::Impl_t FimplD;
-  typedef DomainWallFermionF::Impl_t FimplF;
-  typedef DirichletFermionOperator<FimplD> FermOp;
-  typedef DirichletFermionOperator<FimplF> FermOpF;
-  Coordinate Block({0,0,0,Nt/2});
-
-  DomainWallFermionR DdwfPeriTmp(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
-  DomainWallFermionF DdwfPeriTmpF(UmuF,*FGridF,*FrbGridF,*UGridF,*UrbGridF,mass,M5);
-  FermOp  Ddwf(DdwfPeriTmp,Block); 
-  FermOpF DdwfF(DdwfPeriTmpF,Block); 
-  Ddwf.ImportGauge(Umu);
-  DdwfF.ImportGauge(UmuF);
-  
-  LatticeFermion src_e (FrbGrid);
-  LatticeFermion src_o (FrbGrid);
-  LatticeFermion r_e   (FrbGrid);
-  LatticeFermion r_o   (FrbGrid);
-  LatticeFermion r_eo  (FGrid);
-  LatticeFermion r_eeoo(FGrid);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that Meo + Moe + Moo + Mee = Munprec "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  
-  pickCheckerboard(Even,src_e,src);
-  pickCheckerboard(Odd,src_o,src);
-  Ddwf.Meooe(src_e,r_o);  std::cout<<GridLogMessage<<"Applied Meo"<<std::endl;
-  Ddwf.Meooe(src_o,r_e);  std::cout<<GridLogMessage<<"Applied Moe"<<std::endl;
-  setCheckerboard(r_eo,r_o);
-  setCheckerboard(r_eo,r_e);
-
-  Ddwf.Mooee(src_e,r_e);  std::cout<<GridLogMessage<<"Applied Mee"<<std::endl;
-  Ddwf.Mooee(src_o,r_o);  std::cout<<GridLogMessage<<"Applied Moo"<<std::endl;
-  setCheckerboard(r_eeoo,r_e);
-  setCheckerboard(r_eeoo,r_o);
-
-  r_eo=r_eo+r_eeoo;
-  Ddwf.M(src,ref);  
-
-  //  std::cout<<GridLogMessage << r_eo<<std::endl;
-  //  std::cout<<GridLogMessage << ref <<std::endl;
-
-  err= ref - r_eo;
-  std::cout<<GridLogMessage << "EO norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(r_eo) <<std::endl;
-    
-  LatticeComplex cerr(FGrid);
-  cerr = localInnerProduct(err,err);
-  //  std::cout<<GridLogMessage << cerr<<std::endl;
-
-
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Test Ddagger is the dagger of D by requiring                "<<std::endl;
-  std::cout<<GridLogMessage<<"=  < phi | Deo | chi > * = < chi | Deo^dag| phi>  "<<std::endl;
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  
-  LatticeFermion chi_e   (FrbGrid);
-  LatticeFermion chi_o   (FrbGrid);
-
-  LatticeFermion dchi_e  (FrbGrid);
-  LatticeFermion dchi_o  (FrbGrid);
-
-  LatticeFermion phi_e   (FrbGrid);
-  LatticeFermion phi_o   (FrbGrid);
-
-  LatticeFermion dphi_e  (FrbGrid);
-  LatticeFermion dphi_o  (FrbGrid);
-
-  pickCheckerboard(Even,chi_e,chi);
-  pickCheckerboard(Odd ,chi_o,chi);
-  pickCheckerboard(Even,phi_e,phi);
-  pickCheckerboard(Odd ,phi_o,phi);
-
-  Ddwf.Meooe(chi_e,dchi_o);
-  Ddwf.Meooe(chi_o,dchi_e);
-  Ddwf.MeooeDag(phi_e,dphi_o);
-  Ddwf.MeooeDag(phi_o,dphi_e);
-
-  ComplexD pDce = innerProduct(phi_e,dchi_e);
-  ComplexD pDco = innerProduct(phi_o,dchi_o);
-  ComplexD cDpe = innerProduct(chi_e,dphi_e);
-  ComplexD cDpo = innerProduct(chi_o,dphi_o);
-
-  std::cout<<GridLogMessage <<"e "<<pDce<<" "<<cDpe <<std::endl;
-  std::cout<<GridLogMessage <<"o "<<pDco<<" "<<cDpo <<std::endl;
-
-  std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDce-conj(cDpo) <<std::endl;
-  std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDco-conj(cDpe) <<std::endl;
-
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Test MeeInv Mee = 1                                         "<<std::endl;
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-
-  pickCheckerboard(Even,chi_e,chi);
-  pickCheckerboard(Odd ,chi_o,chi);
-
-  Ddwf.Mooee(chi_e,src_e);
-  Ddwf.MooeeInv(src_e,phi_e);
-
-  Ddwf.Mooee(chi_o,src_o);
-  Ddwf.MooeeInv(src_o,phi_o);
-  
-  setCheckerboard(phi,phi_e);
-  setCheckerboard(phi,phi_o);
-
-  err = phi-chi;
-  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<< std::endl;
-
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Test MeeInvDag MeeDag = 1                                   "<<std::endl;
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-
-  pickCheckerboard(Even,chi_e,chi);
-  pickCheckerboard(Odd ,chi_o,chi);
-
-  Ddwf.MooeeDag(chi_e,src_e);
-  Ddwf.MooeeInvDag(src_e,phi_e);
-
-  Ddwf.MooeeDag(chi_o,src_o);
-  Ddwf.MooeeInvDag(src_o,phi_o);
-  
-  setCheckerboard(phi,phi_e);
-  setCheckerboard(phi,phi_o);
-
-  err = phi-chi;
-  std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<< std::endl;
-
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Test MpcDagMpc is Hermitian              "<<std::endl;
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  
-  gaussian(RNG5,phi);
-  gaussian(RNG5,chi);
-  pickCheckerboard(Even,chi_e,chi);
-  pickCheckerboard(Odd ,chi_o,chi);
-  pickCheckerboard(Even,phi_e,phi);
-  pickCheckerboard(Odd ,phi_o,phi);
-  RealD t1,t2;
-
-
-  SchurDiagMooeeOperator<FermOp,LatticeFermion> HermOpEO(Ddwf);
-  HermOpEO.MpcDagMpc(chi_e,dchi_e);
-  HermOpEO.MpcDagMpc(chi_o,dchi_o);
-
-  HermOpEO.MpcDagMpc(phi_e,dphi_e);
-  HermOpEO.MpcDagMpc(phi_o,dphi_o);
-
-  pDce = innerProduct(phi_e,dchi_e);
-  pDco = innerProduct(phi_o,dchi_o);
-  cDpe = innerProduct(chi_e,dphi_e);
-  cDpo = innerProduct(chi_o,dphi_o);
-
-  std::cout<<GridLogMessage <<"e "<<pDce<<" "<<cDpe <<std::endl;
-  std::cout<<GridLogMessage <<"o "<<pDco<<" "<<cDpo <<std::endl;
-
-  std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDco-conj(cDpo) <<std::endl;
-  std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDce-conj(cDpe) <<std::endl;
-  
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing one direction at a time "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  tmp = Zero();
-  for(int mu=0;mu<Nd;mu++){
-
-    std::vector<TComplex> slice_ref;
-    std::vector<TComplex> slice_result;
-
-    // 5D - Ls is innermost This now annoys me.
-    DdwfPeri.Mdir(src,ref   ,mu+1,-1);
-    Ddwf.Mdir(src,result,mu+1,-1);
-
-    tmp = tmp + result;
-    
-    auto lip = localInnerProduct(result,result);
-    ref = ref - result;
-    auto dip = localInnerProduct(ref,ref);
-
-    sliceSum(lip,slice_result,mu+1);
-    sliceSum(dip,slice_ref,mu+1);
-    for(int t=0;t<latt[mu];t++){
-      std::cout << "mu="<<mu<<" result["<<t<<"] "<<slice_result[t]<<" delta "<<slice_ref[t]<<std::endl;
-      //      if( (t%Block[mu]) !=0) assert(norm2(slice_ref[t]) < 1.0e-10);
-      //      else assert(norm2(slice_result[t]) == 0.0);
-    }
-
-    // Opposite dir
-    DdwfPeri.Mdir(src,ref   ,mu+1,1);
-    Ddwf.Mdir(src,result,mu+1,1);
-
-    tmp = tmp + result;
-    
-    lip = localInnerProduct(result,result);
-    ref = ref - result;
-    dip = localInnerProduct(ref,ref);
-
-    sliceSum(lip,slice_result,mu+1);
-    sliceSum(dip,slice_ref,mu+1);
-    for(int t=0;t<latt[mu];t++){
-      std::cout << "mu="<<mu<<" result["<<t<<"] "<<slice_result[t]<<" delta "<<slice_ref[t]<<std::endl;
-      //if( (t%Block[mu]) != Block[mu]-1) assert(norm2(slice_ref[t]) < 1.0e-10);
-      //else assert(norm2(slice_result[t]) == 0.0);
-    }
-
-  }
-  pickCheckerboard(Even,src_e,src);
-  pickCheckerboard(Odd,src_o,src);
-  Ddwf.Meooe(src_e,r_o);  std::cout<<GridLogMessage<<"Applied Meo"<<std::endl;
-  Ddwf.Meooe(src_o,r_e);  std::cout<<GridLogMessage<<"Applied Moe"<<std::endl;
-  setCheckerboard(r_eo,r_o);
-  setCheckerboard(r_eo,r_e);
-  ref = r_eo - tmp;
-  std::cout << " Difference between Moffdiag and sum over directions is "<<norm2(ref)<<std::endl;
-  assert(norm2(ref)<1.0e-10);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that POmega+POmegaBar = 1 "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  SchurFactoredFermionOperator<FimplD,FimplF> Schur(DdwfPeri,DdwfPeriF,
-						    Ddwf,DdwfF,
-						    Block);
-  
-  result = src;
-  Schur.ProjectOmega(result);
-  DumpSliceNorm("Omega",result,Nd);
-  tmp = src;
-  Schur.ProjectOmegaBar(tmp);
-  DumpSliceNorm("OmegaBar",tmp,Nd);
-  std::cout << " norm2(src) "<<norm2(src)<< " "<< norm2(result)<<" "<<norm2(tmp)<<std::endl;
-  result = result + tmp - src;
-  std::cout << " diff = "<<norm2(result)<<std::endl;
-  assert(norm2(result)<=1.0e-8);
- 
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dBoundary+dBoundaryBar+dOmega+dOmegaBar = Munprec "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  Schur.dBoundary    (src,tmp); result=tmp;        std::cout << "dBoundary    "<<norm2(tmp)<<std::endl;
-  DumpSliceNorm("dBoundary",tmp,Nd);
-  Schur.dBoundaryBar (src,tmp); result=result+tmp; std::cout << "dBoundaryBar "<<norm2(tmp)<<std::endl;
-  DumpSliceNorm("dBoundaryBar",tmp,Nd);
-  Schur.dOmega       (src,tmp); result=result+tmp; std::cout << "dOmega       "<<norm2(tmp)<<std::endl;
-  DumpSliceNorm("dOmega",tmp,Nd);
-  Schur.dOmegaBar    (src,tmp); result=result+tmp; std::cout << "dOmegaBar    "<<norm2(tmp)<<std::endl;
-  DumpSliceNorm("dOmegaBar",tmp,Nd);
-
-  DdwfPeri.M(src,ref);  
-  err= ref - result;
-  std::cout<<GridLogMessage << " norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(result) <<std::endl;
-  assert(norm2(err)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that (dBoundary+dBoundaryBar+dOmega+dOmegaBar)dag = Mdag "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  Schur.dBoundaryDag    (src,tmp); result=tmp;        std::cout << "dBoundaryDag    "<<norm2(tmp)<<std::endl;
-  Schur.dBoundaryBarDag (src,tmp); result=result+tmp; std::cout << "dBoundaryBarDag "<<norm2(tmp)<<std::endl;
-  Schur.dOmegaDag       (src,tmp); result=result+tmp; std::cout << "dOmegaDag       "<<norm2(tmp)<<std::endl;
-  Schur.dOmegaBarDag    (src,tmp); result=result+tmp; std::cout << "dOmegaBarDag    "<<norm2(tmp)<<std::endl;
-
-  DdwfPeri.Mdag(src,ref);  
-  err= ref - result;
-  std::cout<<GridLogMessage << " norm diff   "<< norm2(err)<< " "<<norm2(ref)<< " " << norm2(result) <<std::endl;
-  assert(norm2(err)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that <chi|dBoundary|phi> =  <phi|dBoundaryDag|chi>^* "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
- 
-  Schur.dBoundary(phi,tmp);       std::cout << "<chi|dBoundary|phi>"<<innerProduct(chi,tmp)<<std::endl;
-  Schur.dBoundaryDag(chi,tmp);    std::cout << "<phi|dBoundaryDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
-
-  Schur.dBoundaryBar(phi,tmp);    std::cout << "<chi|dBoundaryBar|phi>"<<innerProduct(chi,tmp)<<std::endl;
-  Schur.dBoundaryBarDag(chi,tmp); std::cout << "<phi|dBoundaryBarDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
-
-  Schur.dOmega(phi,tmp);       std::cout << "<chi|dOmega|phi>"<<innerProduct(chi,tmp)<<std::endl;
-  Schur.dOmegaDag(chi,tmp);    std::cout << "<phi|dOmegaDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
-
-  Schur.dOmegaBar(phi,tmp);    std::cout << "<chi|dOmegaBar|phi>"<<innerProduct(chi,tmp)<<std::endl;
-  Schur.dOmegaBarDag(chi,tmp); std::cout << "<phi|dOmegaBarDag|chi>"<<innerProduct(phi,tmp)<<std::endl;
-  
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dBoundary ProjectBoundary = dBoundary "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectBoundary(tmp);
-  Schur.dBoundary(tmp,result);
-  Schur.dBoundary(src,tmp);
-  result=result - tmp;
-  std::cout << " diff = "<<norm2(result)<< " result "<<norm2(tmp)<<" "<<norm2(src)<<std::endl;
-  assert(norm2(result)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dBoundaryBar ProjectBoundaryBar = dBoundaryBar "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectBoundaryBar(tmp);
-  Schur.dBoundaryBar(tmp,result);
-  Schur.dBoundaryBar(src,tmp);
-  result=result - tmp;
-  std::cout << " diff = "<<norm2(result)<< " result "<<norm2(tmp)<<std::endl;
-  assert(norm2(result)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dOmega dOmegaInv = 1 "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectOmega(tmp);
-  Schur.dOmega(tmp,tmp1);
-  Schur.dOmegaInv(tmp1,result);
-  tmp=tmp-result;
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dOmegaBar dOmegaBarInv = 1 "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectOmegaBar(tmp);
-  Schur.dOmegaBar(tmp,tmp1);
-  Schur.dOmegaBarInv(tmp1,result);
-
-  tmp=tmp-result;
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dOmegaDag dOmegaDagInv = 1 "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectOmega(tmp);
-  Schur.dOmegaDag(tmp,tmp1);
-  Schur.dOmegaDagInv(tmp1,result);
-  tmp=tmp-result;
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<=1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that dOmegaBarDag dOmegaBarDagInv = 1 "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = src;
-  Schur.ProjectOmegaBar(tmp);
-  Schur.dOmegaBarDag(tmp,tmp1);
-  Schur.dOmegaBarDagInv(tmp1,result);
-  tmp=tmp-result;
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<=1.0e-8);
-
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that R RInv = PboundaryBar "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  LatticeFermion Rphi   (FGrid);
-  LatticeFermion Rdagchi(FGrid);
-
-  tmp = phi;
-  Schur.R(tmp,Rphi);
-  Schur.RInv(Rphi,result);
-
-  tmp = phi;
-  Schur.ProjectBoundaryBar(tmp);
-  //  std::cout << "Project Boundary Bar" << tmp<< std::endl;
-  
-  tmp=tmp-result;
-
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<1.0e-8);
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that Rdag RInvdag = PboundaryBar "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  tmp = chi;
-  Schur.RDag(tmp,Rdagchi);
-  Schur.RDagInv(Rdagchi,result);
-
-  tmp = chi;
-  Schur.ProjectBoundaryBar(tmp);
-  tmp=tmp-result;
-
-  std::cout << " diff = "<<norm2(tmp)<< " result "<<norm2(result)<<std::endl;
-  assert(norm2(tmp)<1.0e-8);
-  
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing that <chi|R|phi> = <phi|Rdag|chi>* "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  std::cout << "<chi|R|phi>"<<innerProduct(chi,Rphi)<<std::endl;
-  std::cout << "<phi|Rdag|chi>"<<innerProduct(phi,Rdagchi)<<std::endl;
-
-
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Testing the sliced evolution of spin structured noise   "<<std::endl;
-  std::cout<<GridLogMessage<<"=========================================================="<<std::endl;
-
-  Gamma::Algebra Gmu [] = {
-    Gamma::Algebra::GammaX,
-    Gamma::Algebra::GammaY,
-    Gamma::Algebra::GammaZ,
-    Gamma::Algebra::GammaT
-  };
-  int hits=2;
-  int isDWF=1;
-  std::cout << " latt " << latt <<" Nd "<<FGrid->Nd()<<" dims "<<FGrid->GlobalDimensions()<<std::endl;
-  LatticeInteger coor(FGrid);
-  for(int mu=0;mu<Nd;mu++){
-    Gamma G(Gmu[mu]);
-    int plane = latt[mu]/2;
-    for(int hit=0;hit<hits;hit++){
-
-      std::cout<<GridLogMessage<<"mu="<<mu<<" hit "<<hit<<std::endl;
-      LatticeCoordinate(coor,mu+isDWF);
-
-      gaussian(RNG5,src);
-      tmp = src - G*src;
-      src = src + G*src;
-      src= where(coor==Integer(plane),src,zz);
-      src= where(coor==Integer(0),tmp,src);
-
-      Schur.Dinverse(src,tmp);  
-      DumpSliceNorm("1+/-gamma_mu",tmp,mu+isDWF);
-
-    }
-  }
-
-  
-  Grid_finalize();
-}

tests/core/Test_fft_gfix.cc

@@ -29,14 +29,10 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/Grid.h>
 
 using namespace Grid;
- ;
 
-int main (int argc, char ** argv)
-{
+template<typename Gimpl>
+void run(double alpha, bool do_fft_gfix){
   std::vector<int> seeds({1,2,3,4});
-
-  Grid_init(&argc,&argv);
-
   int threads = GridThread::GetThreads();
 
   Coordinate latt_size   = GridDefaultLatt();
@@ -55,10 +51,7 @@ int main (int argc, char ** argv)
   FFT theFFT(&GRID);
 
   std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
-
-  std::cout<< "*****************************************************************" <<std::endl;
-  std::cout<< "* Testing we can gauge fix steep descent a RGT of Unit gauge    *" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
+  std::cout<<GridLogMessage << "Using alpha=" << alpha << std::endl;
 
   //  int coulomb_dir = -1;
   int coulomb_dir = Nd-1;
@@ -72,81 +65,165 @@ int main (int argc, char ** argv)
   LatticeColourMatrix   xform1(&GRID); // Gauge xform
   LatticeColourMatrix   xform2(&GRID); // Gauge xform
   LatticeColourMatrix   xform3(&GRID); // Gauge xform
+
+  //#########################################################################################
+
+  std::cout<< "*********************************************************************************************************" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to Landau gauge with randomly transformed unit gauge configuration    *" <<std::endl;
+  std::cout<< "*********************************************************************************************************" <<std::endl;
   
   SU<Nc>::ColdConfiguration(pRNG,Umu); // Unit gauge
   Uorg=Umu;
+
+  Real init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
+
+  //Apply a random gauge transformation to the unit gauge config
   Urnd=Umu;
+  SU<Nc>::RandomGaugeTransform<Gimpl>(pRNG,Urnd,g);
 
-  SU<Nc>::RandomGaugeTransform(pRNG,Urnd,g); // Unit gauge
-
-  Real plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
-
-  Real alpha=0.1;
-
+  //Gauge fix the randomly transformed field 
   Umu = Urnd;
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
 
   // Check the gauge xform matrices
   Utmp=Urnd;
-  SU<Nc>::GaugeTransform(Utmp,xform1);
+  SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform1);
   Utmp = Utmp - Umu;
-  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
+  std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
   
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+  Real plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
   Uorg = Uorg - Umu;
-  std::cout << " Norm Difference "<< norm2(Uorg) << std::endl;
-  std::cout << " Norm "<< norm2(Umu) << std::endl;
+  std::cout << " Norm difference between a unit gauge configuration and the gauge fixed configuration "<< norm2(Uorg) << " (expect 0)" << std::endl;
+  std::cout << " Norm of gauge fixed configuration "<< norm2(Umu) << std::endl;
+
+  //#########################################################################################
+  if(do_fft_gfix){
+    std::cout<< "*************************************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with unit gauge configuration  *" <<std::endl;
+    std::cout<< "*************************************************************************************" <<std::endl;
+    Umu=Urnd;
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
+
+    Utmp=Urnd;
+    SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform2);
+    Utmp = Utmp - Umu;
+    std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
 
 
-  std::cout<< "*****************************************************************" <<std::endl;
-  std::cout<< "* Testing Fourier accelerated fixing                            *" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
-  Umu=Urnd;
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+  //#########################################################################################
 
-  Utmp=Urnd;
-  SU<Nc>::GaugeTransform(Utmp,xform2);
-  Utmp = Utmp - Umu;
-  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
+  std::cout<< "******************************************************************************************" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to Landau gauge with random configuration             **" <<std::endl;
+  std::cout<< "******************************************************************************************" <<std::endl;
 
+  SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
 
-  std::cout<< "*****************************************************************" <<std::endl;
-  std::cout<< "* Testing non-unit configuration                                *" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,false);
 
-  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
+  plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
+  //#########################################################################################
+  if(do_fft_gfix){
+    std::cout<< "******************************************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with random configuration          **" <<std::endl;
+    std::cout<< "******************************************************************************************" <<std::endl;
 
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,true);
+    SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+    init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Initial plaquette "<< init_plaq << std::endl;
 
-  std::cout<< "*****************************************************************" <<std::endl;
-  std::cout<< "* Testing Fourier accelerated fixing to coulomb gauge           *" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,true);
+
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+  //#########################################################################################
+  
+  std::cout<< "*******************************************************************************************" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to coulomb gauge with random configuration           *" <<std::endl;
+  std::cout<< "*******************************************************************************************" <<std::endl;
 
   Umu=Urnd;
-  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
+  SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
+  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
 
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,true,coulomb_dir);
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,false,coulomb_dir);
 
-  std::cout << Umu<<std::endl;
+  plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
 
+  //#########################################################################################
+  if(do_fft_gfix){
+    std::cout<< "*******************************************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to coulomb gauge with random configuration           *" <<std::endl;
+    std::cout<< "*******************************************************************************************" <<std::endl;
+
+    Umu=Urnd;
+    SU<Nc>::HotConfiguration(pRNG,Umu);
+
+    init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Initial plaquette "<< init_plaq << std::endl;
+
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,true,coulomb_dir);
+
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+}
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  double alpha=0.1; //step size
+  std::string gimpl = "periodic";
+  bool do_fft_gfix = true; //test fourier transformed gfix as well as steepest descent
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--gimpl"){
+      assert(i<argc-1 && "--gimpl option requires an argument");
+      gimpl = argv[i+1];
+      if(gimpl != "periodic" && gimpl != "conjugate")
+	assert(0 && "Invalid gimpl");
+    }else if(sarg == "--no-fft-gfix"){
+      std::cout << "Not doing the Fourier accelerated gauge fixing tests" << std::endl;
+      do_fft_gfix = false;
+    }else if(sarg == "--alpha"){
+      assert(i<argc-1 && "--alpha option requires an argument");
+      std::istringstream ss(argv[i+1]); ss >> alpha;
+    }
+  }
+
+
+  if(gimpl == "periodic"){
+    std::cout << GridLogMessage << "Using periodic boundary condition" << std::endl;
+    run<PeriodicGimplR>(alpha, do_fft_gfix);
+  }else{
+    std::vector<int> conjdirs = {1,1,0,0}; //test with 2 conjugate dirs and 2 not
+    std::cout << GridLogMessage << "Using complex conjugate boundary conditions in dimensions ";
+    for(int i=0;i<Nd;i++)
+      if(conjdirs[i])
+	std::cout << i << " ";   
+    std::cout << std::endl;
+
+    ConjugateGimplR::setDirections(conjdirs);
+    run<ConjugateGimplR>(alpha, do_fft_gfix);
+  }
+  
   Grid_finalize();
 }

tests/core/Test_gamma.cc

@@ -228,6 +228,59 @@ void checkGammaL(const Gamma::Algebra a, GridSerialRNG &rng)
   std::cout << std::endl;
 }
 
+void checkChargeConjMatrix(){
+  //Check the properties of the charge conjugation matrix
+  //In the Grid basis C = -\gamma^2 \gamma^4
+  SpinMatrix C = testAlgebra[Gamma::Algebra::MinusGammaY] * testAlgebra[Gamma::Algebra::GammaT];
+  SpinMatrix mC = -C;
+  SpinMatrix one = testAlgebra[Gamma::Algebra::Identity];
+
+  std::cout << "Testing properties of charge conjugation matrix C = -\\gamma^2 \\gamma^4 (in Grid's basis)" << std::endl;
+
+  //C^T = -C
+  SpinMatrix Ct = transpose(C);
+  std::cout << GridLogMessage << "C^T=-C ";
+  test(Ct, mC);
+  std::cout << std::endl;
+
+  //C^\dagger = -C
+  SpinMatrix Cdag = adj(C);
+  std::cout << GridLogMessage << "C^dag=-C ";
+  test(Cdag, mC);
+  std::cout << std::endl;
+
+  //C^* = C
+  SpinMatrix Cstar = conjugate(C);
+  std::cout << GridLogMessage << "C^*=C ";
+  test(Cstar, C);
+  std::cout << std::endl;
+
+  //C^{-1} = -C
+  SpinMatrix CinvC = mC * C;
+  std::cout << GridLogMessage << "C^{-1}=-C ";
+  test(CinvC, one);
+  std::cout << std::endl;
+
+  // C^{-1} \gamma^\mu C = -[\gamma^\mu]^T
+  Gamma::Algebra gmu_a[4] = { Gamma::Algebra::GammaX, Gamma::Algebra::GammaY, Gamma::Algebra::GammaZ, Gamma::Algebra::GammaT };
+  for(int mu=0;mu<4;mu++){
+    SpinMatrix gmu = testAlgebra[gmu_a[mu]];
+    SpinMatrix Cinv_gmu_C = mC * gmu * C;
+    SpinMatrix mgmu_T = -transpose(gmu);
+    std::cout << GridLogMessage << "C^{-1} \\gamma^" << mu << " C = -[\\gamma^" << mu << "]^T ";
+    test(Cinv_gmu_C, mgmu_T);
+    std::cout << std::endl;
+  }
+  
+  //[C, \gamma^5] = 0
+  SpinMatrix Cg5 = C * testAlgebra[Gamma::Algebra::Gamma5];
+  SpinMatrix g5C = testAlgebra[Gamma::Algebra::Gamma5] * C;
+  std::cout << GridLogMessage << "C \\gamma^5 = \\gamma^5 C";
+  test(Cg5, g5C);
+  std::cout << std::endl;
+}
+
+
 int main(int argc, char *argv[])
 {
   Grid_init(&argc,&argv);
@@ -270,6 +323,13 @@ int main(int argc, char *argv[])
   {
     checkGammaL(i, sRNG);
   }
+
+  std::cout << GridLogMessage << "======== Charge conjugation matrix check" << std::endl;
+  checkChargeConjMatrix();
+  std::cout << GridLogMessage << std::endl;
+  
+
+
   
   Grid_finalize();
   

tests/debug/Test_cayley_even_odd.cc

@@ -208,27 +208,6 @@ void  TestWhat(What & Ddwf,
   std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDce-conj(cDpo) <<std::endl;
   std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDco-conj(cDpe) <<std::endl;
 
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-  std::cout<<GridLogMessage<<"= Test MooeeDag is the dagger of Mooee by requiring           "<<std::endl;
-  std::cout<<GridLogMessage<<"=  < phi | Deo | chi > * = < chi | Deo^dag| phi>  "<<std::endl;
-  std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
-
-  Ddwf.Mooee(chi_e,dchi_e);
-  Ddwf.Mooee(chi_o,dchi_o);
-  Ddwf.MooeeDag(phi_e,dphi_e);
-  Ddwf.MooeeDag(phi_o,dphi_o);
-
-  pDce = innerProduct(phi_e,dchi_e);
-  pDco = innerProduct(phi_o,dchi_o);
-  cDpe = innerProduct(chi_e,dphi_e);
-  cDpo = innerProduct(chi_o,dphi_o);
-
-  std::cout<<GridLogMessage <<"e "<<pDce<<" "<<cDpe <<std::endl;
-  std::cout<<GridLogMessage <<"o "<<pDco<<" "<<cDpo <<std::endl;
-
-  std::cout<<GridLogMessage <<"pDce - conj(cDpo) "<< pDce-conj(cDpe) <<std::endl;
-  std::cout<<GridLogMessage <<"pDco - conj(cDpe) "<< pDco-conj(cDpo) <<std::endl;
-  
   std::cout<<GridLogMessage<<"=============================================================="<<std::endl;
   std::cout<<GridLogMessage<<"= Test MeeInv Mee = 1                                         "<<std::endl;
   std::cout<<GridLogMessage<<"=============================================================="<<std::endl;

tests/debug/Test_heatbath_dwf_eofa.cc

@@ -66,9 +66,12 @@ int main(int argc, char** argv)
   // Set up RNGs
   std::vector<int> seeds4({1, 2, 3, 4});
   std::vector<int> seeds5({5, 6, 7, 8});
-  GridSerialRNG SRNG;           SRNG.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+  GridSerialRNG sRNG;
+  GridParallelRNG RNG5(FGrid);
+  sRNG.SeedFixedIntegers(seeds5);
+  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid);
+  RNG4.SeedFixedIntegers(seeds4);
 
   // Random gauge field
   LatticeGaugeField Umu(UGrid);
@@ -83,7 +86,7 @@ int main(int argc, char** argv)
     ConjugateGradient<LatticeFermion> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, Params, false);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu,sRNG, RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }
 
@@ -93,7 +96,7 @@ int main(int argc, char** argv)
     ConjugateGradient<LatticeFermion> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, Params, true);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu,sRNG, RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }
 

tests/debug/Test_heatbath_dwf_eofa_gparity.cc

@@ -70,9 +70,13 @@ int main(int argc, char** argv)
   // Set up RNGs
   std::vector<int> seeds4({1, 2, 3, 4});
   std::vector<int> seeds5({5, 6, 7, 8});
-  GridSerialRNG SRNG;  SRNG.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
-  GridParallelRNG RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+  GridParallelRNG RNG5(FGrid);
+  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid);
+  RNG4.SeedFixedIntegers(seeds4);
+  GridSerialRNG sRNG;
+  RNG4.SeedFixedIntegers(seeds4);
+  sRNG.SeedFixedIntegers(seeds5);
 
   // Random gauge field
   LatticeGaugeField Umu(UGrid);
@@ -89,7 +93,7 @@ int main(int argc, char** argv)
     ConjugateGradient<FermionField> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> Meofa(Lop, Rop, CG, Params, false);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu,sRNG, RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }
 
@@ -99,7 +103,7 @@ int main(int argc, char** argv)
     ConjugateGradient<FermionField> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> Meofa(Lop, Rop, CG, Params, true);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu,sRNG, RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }
 

tests/debug/Test_heatbath_mobius_eofa.cc

@@ -68,9 +68,10 @@ int main(int argc, char** argv)
   // Set up RNGs
   std::vector<int> seeds4({1, 2, 3, 4});
   std::vector<int> seeds5({5, 6, 7, 8});
-  GridSerialRNG SRNG; SRNG.SeedFixedIntegers(seeds4);
+  GridSerialRNG sRNG;
   GridParallelRNG RNG5(FGrid);
   RNG5.SeedFixedIntegers(seeds5);
+  sRNG.SeedFixedIntegers(seeds5);
   GridParallelRNG RNG4(UGrid);
   RNG4.SeedFixedIntegers(seeds4);
 
@@ -87,7 +88,7 @@ int main(int argc, char** argv)
     ConjugateGradient<LatticeFermion> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, Params, false);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu, sRNG,RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }
 
@@ -97,7 +98,7 @@ int main(int argc, char** argv)
     ConjugateGradient<LatticeFermion> CG(1.0e-12, 5000);
     ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, Params, true);
 
-    Meofa.refresh(Umu, SRNG, RNG5);
+    Meofa.refresh(Umu, sRNG,RNG5);
     printf("<Phi|Meofa|Phi> = %1.15e\n", Meofa.S(Umu));
   }