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

Can simplify and make specific if performance matters

Grid/DisableWarnings.h

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

Grid/GridQCDcore.h

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

Grid/algorithms/Algorithms.h

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

Grid/algorithms/CoarsenedMatrix.h

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

Grid/algorithms/LinearOperator.h

@@ -52,7 +52,6 @@ public:
   virtual void AdjOp  (const Field &in, Field &out) = 0; // Abstract base
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2)=0;
   virtual void HermOp(const Field &in, Field &out)=0;
-  virtual ~LinearOperatorBase(){};
 };
 
 
@@ -224,9 +223,14 @@ class SchurOperatorBase :  public LinearOperatorBase<Field> {
     Mpc(in,tmp);
     MpcDag(tmp,out);
   }
+  virtual  void MpcMpcDag(const Field &in, Field &out) {
+    Field tmp(in.Grid());
+    tmp.Checkerboard() = in.Checkerboard();
+    MpcDag(in,tmp);
+    Mpc(tmp,out);
+  }
   virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-    out.Checkerboard() = in.Checkerboard();
+    HermOp(in,out);
-    MpcDagMpc(in,out);
     ComplexD dot= innerProduct(in,out); 
     n1=real(dot);
     n2=norm2(out);
@@ -277,6 +281,16 @@ template<class Matrix,class Field>
       axpy(out,-1.0,tmp,out);
     }
 };
+// Mpc MpcDag system presented as the HermOp
+template<class Matrix,class Field>
+class SchurDiagMooeeDagOperator :  public SchurDiagMooeeOperator<Matrix,Field> {
+ public:
+  virtual void HermOp(const Field &in, Field &out){
+    out.Checkerboard() = in.Checkerboard();
+    this->MpcMpcDag(in,out);
+  }
+  SchurDiagMooeeDagOperator (Matrix &Mat): SchurDiagMooeeOperator<Matrix,Field>(Mat){};
+};
 template<class Matrix,class Field>
   class SchurDiagOneOperator :  public SchurOperatorBase<Field> {
  protected:
@@ -508,7 +522,7 @@ class SchurStaggeredOperator :  public SchurOperatorBase<Field> {
   virtual  void MpcDag   (const Field &in, Field &out){
     Mpc(in,out);
   }
-  virtual void MpcDagMpc(const Field &in, Field &out) {
+  virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
     assert(0);// Never need with staggered
   }
 };
@@ -586,7 +600,6 @@ class HermOpOperatorFunction : public OperatorFunction<Field> {
 template<typename Field>
 class PlainHermOp : public LinearFunction<Field> {
 public:
-  using LinearFunction<Field>::operator();
   LinearOperatorBase<Field> &_Linop;
       
   PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
@@ -600,7 +613,6 @@ public:
 template<typename Field>
 class FunctionHermOp : public LinearFunction<Field> {
 public:
-  using LinearFunction<Field>::operator(); 
   OperatorFunction<Field>   & _poly;
   LinearOperatorBase<Field> &_Linop;
       

Grid/algorithms/Preconditioner.h

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

Grid/algorithms/SparseMatrix.h

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

Grid/algorithms/approx/Chebyshev.h

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

Grid/algorithms/iterative/BiCGSTABMixedPrec.h

@@ -37,7 +37,6 @@ template<class FieldD, class FieldF, typename std::enable_if< getPrecision<Field
 class MixedPrecisionBiCGSTAB : public LinearFunction<FieldD> 
 {
   public:                                                
-    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; // Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;

Grid/algorithms/iterative/ConjugateGradient.h

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

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -36,7 +36,6 @@ NAMESPACE_BEGIN(Grid);
     typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
   class MixedPrecisionConjugateGradient : public LinearFunction<FieldD> {
   public:                                                
-    using LinearFunction<FieldD>::operator();
     RealD   Tolerance;
     RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
     Integer MaxInnerIterations;
@@ -49,19 +48,29 @@ NAMESPACE_BEGIN(Grid);
     Integer TotalInnerIterations; //Number of inner CG iterations
     Integer TotalOuterIterations; //Number of restarts
     Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+    RealD TrueResidual;
 
     //Option to speed up *inner single precision* solves using a LinearFunction that produces a guess
     LinearFunction<FieldF> *guesser;
 
-    MixedPrecisionConjugateGradient(RealD tol, 
+    MixedPrecisionConjugateGradient(RealD Tol,
+				    Integer maxinnerit, 
+				    Integer maxouterit, 
+				    GridBase* _sp_grid, 
+				    LinearOperatorBase<FieldF> &_Linop_f, 
+				    LinearOperatorBase<FieldD> &_Linop_d) :
+      MixedPrecisionConjugateGradient(Tol, Tol, maxinnerit, maxouterit, _sp_grid, _Linop_f, _Linop_d) {};
+
+    MixedPrecisionConjugateGradient(RealD Tol,
+				    RealD InnerTol,
 				    Integer maxinnerit, 
 				    Integer maxouterit, 
 				    GridBase* _sp_grid, 
 				    LinearOperatorBase<FieldF> &_Linop_f, 
 				    LinearOperatorBase<FieldD> &_Linop_d) :
       Linop_f(_Linop_f), Linop_d(_Linop_d),
-      Tolerance(tol), InnerTolerance(tol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
+      Tolerance(Tol), InnerTolerance(InnerTol), MaxInnerIterations(maxinnerit), MaxOuterIterations(maxouterit), SinglePrecGrid(_sp_grid),
-      OuterLoopNormMult(100.), guesser(NULL){ };
+      OuterLoopNormMult(100.), guesser(NULL){ assert(InnerTol < 1.0e-1);};
 
     void useGuesser(LinearFunction<FieldF> &g){
       guesser = &g;
@@ -80,6 +89,11 @@ NAMESPACE_BEGIN(Grid);
     RealD stop = src_norm * Tolerance*Tolerance;
 
     GridBase* DoublePrecGrid = src_d_in.Grid();
+
+    //Generate precision change workspaces
+    precisionChangeWorkspace wk_dp_from_sp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace wk_sp_from_dp(SinglePrecGrid, DoublePrecGrid);
+
     FieldD tmp_d(DoublePrecGrid);
     tmp_d.Checkerboard() = cb;
     
@@ -120,7 +134,7 @@ NAMESPACE_BEGIN(Grid);
       while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
       PrecChangeTimer.Start();
-      precisionChange(src_f, src_d);
+      precisionChange(src_f, src_d, wk_sp_from_dp);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -138,7 +152,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f);
+      precisionChange(tmp_d, sol_f, wk_dp_from_sp);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -150,6 +164,7 @@ NAMESPACE_BEGIN(Grid);
     ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
     CG_d(Linop_d, src_d_in, sol_d);
     TotalFinalStepIterations = CG_d.IterationsToComplete;
+    TrueResidual = CG_d.TrueResidual;
 
     TotalTimer.Stop();
     std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

@@ -52,7 +52,7 @@ public:
   MultiShiftFunction shifts;
   std::vector<RealD> TrueResidualShift;
 
-  ConjugateGradientMultiShift(Integer maxit,MultiShiftFunction &_shifts) : 
+  ConjugateGradientMultiShift(Integer maxit, const MultiShiftFunction &_shifts) : 
     MaxIterations(maxit),
     shifts(_shifts)
   { 
@@ -183,6 +183,9 @@ public:
       axpby(psi[s],0.,-bs[s]*alpha[s],src,src);
     }
 
+    std::cout << GridLogIterative << "ConjugateGradientMultiShift: initial rn (|src|^2) =" << rn << " qq (|MdagM src|^2) =" << qq << " d ( dot(src, [MdagM + m_0]src) ) =" << d << " c=" << c << std::endl;
+    
+  
   ///////////////////////////////////////
   // Timers
   ///////////////////////////////////////

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -0,0 +1,411 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/ConjugateGradientMultiShift.h
+
+    Copyright (C) 2015
+
+Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly <ckelly@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#ifndef GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+#define GRID_CONJUGATE_GRADIENT_MULTI_SHIFT_MIXEDPREC_H
+
+NAMESPACE_BEGIN(Grid);
+
+//CK 2020: A variant of the multi-shift conjugate gradient with the matrix multiplication in single precision. 
+//The residual is stored in single precision, but the search directions and solution are stored in double precision. 
+//Every update_freq iterations the residual is corrected in double precision. 
+    
+//For safety the a final regular CG is applied to clean up if necessary
+
+//Linop to add shift to input linop, used in cleanup CG
+namespace ConjugateGradientMultiShiftMixedPrecSupport{
+template<typename Field>
+class ShiftedLinop: public LinearOperatorBase<Field>{
+public:
+  LinearOperatorBase<Field> &linop_base;
+  RealD shift;
+
+  ShiftedLinop(LinearOperatorBase<Field> &_linop_base, RealD _shift): linop_base(_linop_base), shift(_shift){}
+
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); }
+  
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+
+  void HermOp(const Field &in, Field &out){
+    linop_base.HermOp(in, out);
+    axpy(out, shift, in, out);
+  }    
+
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
+    HermOp(in,out);
+    ComplexD dot = innerProduct(in,out);
+    n1=real(dot);
+    n2=norm2(out);
+  }
+};
+};
+
+
+template<class FieldD, class FieldF,
+	 typename std::enable_if< getPrecision<FieldD>::value == 2, int>::type = 0,
+	 typename std::enable_if< getPrecision<FieldF>::value == 1, int>::type = 0> 
+class ConjugateGradientMultiShiftMixedPrec : public OperatorMultiFunction<FieldD>,
+					     public OperatorFunction<FieldD>
+{
+public:                                                
+
+  using OperatorFunction<FieldD>::operator();
+
+  RealD   Tolerance;
+  Integer MaxIterations;
+  Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  std::vector<int> IterationsToCompleteShift;  // Iterations for this shift
+  int verbose;
+  MultiShiftFunction shifts;
+  std::vector<RealD> TrueResidualShift;
+
+  int ReliableUpdateFreq; //number of iterations between reliable updates
+
+  GridBase* SinglePrecGrid; //Grid for single-precision fields
+  LinearOperatorBase<FieldF> &Linop_f; //single precision
+
+  ConjugateGradientMultiShiftMixedPrec(Integer maxit, const MultiShiftFunction &_shifts,
+				       GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
+				       int _ReliableUpdateFreq
+				       ) : 
+    MaxIterations(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq)
+  { 
+    verbose=1;
+    IterationsToCompleteShift.resize(_shifts.order);
+    TrueResidualShift.resize(_shifts.order);
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, FieldD &psi)
+  {
+    GridBase *grid = src.Grid();
+    int nshift = shifts.order;
+    std::vector<FieldD> results(nshift,grid);
+    (*this)(Linop,src,results,psi);
+  }
+  void operator() (LinearOperatorBase<FieldD> &Linop, const FieldD &src, std::vector<FieldD> &results, FieldD &psi)
+  {
+    int nshift = shifts.order;
+
+    (*this)(Linop,src,results);
+  
+    psi = shifts.norm*src;
+    for(int i=0;i<nshift;i++){
+      psi = psi + shifts.residues[i]*results[i];
+    }
+
+    return;
+  }
+
+  void operator() (LinearOperatorBase<FieldD> &Linop_d, const FieldD &src_d, std::vector<FieldD> &psi_d)
+  { 
+    GridBase *DoublePrecGrid = src_d.Grid();
+    precisionChangeWorkspace wk_f_from_d(SinglePrecGrid, DoublePrecGrid);
+    precisionChangeWorkspace wk_d_from_f(DoublePrecGrid, SinglePrecGrid);
+
+    ////////////////////////////////////////////////////////////////////////
+    // Convenience references to the info stored in "MultiShiftFunction"
+    ////////////////////////////////////////////////////////////////////////
+    int nshift = shifts.order;
+
+    std::vector<RealD> &mass(shifts.poles); // Make references to array in "shifts"
+    std::vector<RealD> &mresidual(shifts.tolerances);
+    std::vector<RealD> alpha(nshift,1.0);
+
+    //Double precision search directions
+    FieldD p_d(DoublePrecGrid);
+    std::vector<FieldD> ps_d(nshift, DoublePrecGrid);// Search directions (double precision)
+
+    FieldD tmp_d(DoublePrecGrid);
+    FieldD r_d(DoublePrecGrid);
+    FieldD mmp_d(DoublePrecGrid);
+
+    assert(psi_d.size()==nshift);
+    assert(mass.size()==nshift);
+    assert(mresidual.size()==nshift);
+  
+    // dynamic sized arrays on stack; 2d is a pain with vector
+    RealD  bs[nshift];
+    RealD  rsq[nshift];
+    RealD  z[nshift][2];
+    int     converged[nshift];
+  
+    const int       primary =0;
+  
+    //Primary shift fields CG iteration
+    RealD a,b,c,d;
+    RealD cp,bp,qq; //prev
+  
+    // Matrix mult fields
+    FieldF r_f(SinglePrecGrid);
+    FieldF p_f(SinglePrecGrid);
+    FieldF tmp_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+    FieldF src_f(SinglePrecGrid);
+    precisionChange(src_f, src_d, wk_f_from_d);
+
+    // Check lightest mass
+    for(int s=0;s<nshift;s++){
+      assert( mass[s]>= mass[primary] );
+      converged[s]=0;
+    }
+  
+    // Wire guess to zero
+    // Residuals "r" are src
+    // First search direction "p" is also src
+    cp = norm2(src_d);
+
+    // Handle trivial case of zero src.
+    if( cp == 0. ){
+      for(int s=0;s<nshift;s++){
+	psi_d[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      ps_d[s] = src_d;
+    }
+    // r and p for primary
+    r_f=src_f; //residual maintained in single
+    p_f=src_f;
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+  
+    //MdagM+m[0]
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    axpy(mmp_f,mass[0],p_f,mmp_f);
+    RealD rn = norm2(p_f);
+    d += rn*mass[0];
+
+    b = -cp /d;
+  
+    // Set up the various shift variables
+    int       iz=0;
+    z[0][1-iz] = 1.0;
+    z[0][iz]   = 1.0;
+    bs[0]      = b;
+    for(int s=1;s<nshift;s++){
+      z[s][1-iz] = 1.0;
+      z[s][iz]   = 1.0/( 1.0 - b*(mass[s]-mass[0]));
+      bs[s]      = b*z[s][iz]; 
+    }
+  
+    // r += b[0] A.p[0]
+    // c= norm(r)
+    c=axpy_norm(r_f,b,mmp_f,r_f);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterations;k++){    
+      a = c /cp;
+
+      //Update double precision search direction by residual
+      PrecChangeTimer.Start();
+      precisionChange(r_d, r_f, wk_d_from_f);
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_d[s],a,ps_d[s],r_d);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_d[s],z[s][iz],as,r_d,ps_d[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChange(p_f, p_d, wk_f_from_d); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+
+      cp=c;
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f); 
+      d=real(innerProduct(p_f,mmp_f));    
+      MatrixTimer.Stop();  
+
+      AXPYTimer.Start();
+      axpy(mmp_f,mass[0],p_f,mmp_f);
+      AXPYTimer.Stop();
+      RealD rn = norm2(p_f);
+      d += rn*mass[0];
+    
+      bp=b;
+      b=-cp/d;
+    
+      // Toggle the recurrence history
+      bs[0] = b;
+      iz = 1-iz;
+      ShiftTimer.Start();
+      for(int s=1;s<nshift;s++){
+	if((!converged[s])){
+	  RealD z0 = z[s][1-iz];
+	  RealD z1 = z[s][iz];
+	  z[s][iz] = z0*z1*bp
+	    / (b*a*(z1-z0) + z1*bp*(1- (mass[s]-mass[0])*b)); 
+	  bs[s] = b*z[s][iz]/z0; // NB sign  rel to Mike
+	}
+      }
+      ShiftTimer.Stop();
+
+      //Update double precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_d[ss],-bs[s]*alpha[s],ps_d[s],psi_d[ss]);
+	}
+      }
+
+      //Perform reliable update if necessary; otherwise update residual from single-prec mmp
+      RealD c_f = axpy_norm(r_f,b,mmp_f,r_f);
+      AXPYTimer.Stop();
+
+      c = c_f;
+
+      if(k % ReliableUpdateFreq == 0){
+	//Replace r with true residual
+	MatrixTimer.Start();  
+	Linop_d.HermOp(psi_d[0],mmp_d); 
+	MatrixTimer.Stop();  
+
+	AXPYTimer.Start();
+	axpy(mmp_d,mass[0],psi_d[0],mmp_d);
+
+	RealD c_d = axpy_norm(r_d, -1.0, mmp_d, src_d);
+	AXPYTimer.Stop();
+
+	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_f <<" with |r|^2 = "<<c_d<<std::endl;
+	
+	PrecChangeTimer.Start();
+	precisionChange(r_f, r_d, wk_f_from_d);
+	PrecChangeTimer.Stop();
+	c = c_d;
+      }
+    
+      // Convergence checks
+      int all_converged = 1;
+      for(int s=0;s<nshift;s++){
+      
+	if ( (!converged[s]) ){
+	  IterationsToCompleteShift[s] = k;
+	
+	  RealD css  = c * z[s][iz]* z[s][iz];
+	
+	  if(css<rsq[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged ){
+
+	SolverTimer.Stop();
+	std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
+	std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
+      
+	// Check answers 
+	for(int s=0; s < nshift; s++) { 
+	  Linop_d.HermOpAndNorm(psi_d[s],mmp_d,d,qq);
+	  axpy(tmp_d,mass[s],psi_d[s],mmp_d);
+	  axpy(r_d,-alpha[s],src_d,tmp_d);
+	  RealD rn = norm2(r_d);
+	  RealD cn = norm2(src_d);
+	  TrueResidualShift[s] = std::sqrt(rn/cn);
+	  std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift["<<s<<"] true residual "<< TrueResidualShift[s] << " target " << mresidual[s] << std::endl;
+
+	  //If we have not reached the desired tolerance, do a (mixed precision) CG cleanup
+	  if(rn >= rsq[s]){
+	    CleanupTimer.Start();
+	    std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: performing cleanup step for shift " << s << std::endl;
+
+	    //Setup linear operators for final cleanup
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldD> Linop_shift_d(Linop_d, mass[s]);
+	    ConjugateGradientMultiShiftMixedPrecSupport::ShiftedLinop<FieldF> Linop_shift_f(Linop_f, mass[s]);
+					       
+	    MixedPrecisionConjugateGradient<FieldD,FieldF> cg(mresidual[s], MaxIterations, MaxIterations, SinglePrecGrid, Linop_shift_f, Linop_shift_d); 
+	    cg(src_d, psi_d[s]);
+	    
+	    TrueResidualShift[s] = cg.TrueResidual;
+	    CleanupTimer.Stop();
+	  }
+	}
+
+	std::cout << GridLogMessage << "ConjugateGradientMultiShiftMixedPrec: Time Breakdown for body"<<std::endl;
+	std::cout << GridLogMessage << "\tSolver    " << SolverTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tAXPY    " << AXPYTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tMatrix    " << MatrixTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\t\tPrecision Change " << PrecChangeTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tFinal Cleanup " << CleanupTimer.Elapsed()     <<std::endl;
+	std::cout << GridLogMessage << "\tSolver+Cleanup " << SolverTimer.Elapsed() + CleanupTimer.Elapsed() << std::endl;
+
+	IterationsToComplete = k;	
+
+	return;
+      }
+
+   
+    }
+    // ugly hack
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    //  assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/Deflation.h

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

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -67,7 +67,6 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
-  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
@@ -98,7 +97,6 @@ public:
 template<class Fobj,class CComplex,int nbasis>
 class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
 public:
-  using LinearFunction<Lattice<iVector<CComplex,nbasis > > >::operator();
   typedef iVector<CComplex,nbasis >           CoarseSiteVector;
   typedef Lattice<CoarseSiteVector>           CoarseField;
   typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field

Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h

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

Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h

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

Grid/algorithms/iterative/SchurRedBlack.h

@@ -40,7 +40,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
    *        (-MoeMee^{-1}   1 )   
    * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
    *           ( 0       1                    )
-   * L^{-d}  = ( 1      -Mee^{-dag} Moe^{dag} )
+   * L^{-dag}= ( 1      -Mee^{-dag} Moe^{dag} )
    *           ( 0       1                    )
    *
    * U^-1 = (1   -Mee^{-1} Meo)
@@ -82,7 +82,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
    * c) M_oo^-dag Doo^{dag} Doo Moo^-1 phi_0 = M_oo^-dag (D_oo)^dag L^{-1}  eta_o
    *                              eta_o'     = M_oo^-dag (D_oo)^dag (eta_o - Moe Mee^{-1} eta_e)
    *                              psi_o = M_oo^-1 phi_o
-   * TODO: Deflation 
+   *
+   *
    */
 namespace Grid {
 
@@ -97,6 +98,7 @@ namespace Grid {
   protected:
     typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
     OperatorFunction<Field> & _HermitianRBSolver;
+    
     int CBfactorise;
     bool subGuess;
     bool useSolnAsInitGuess; // if true user-supplied solution vector is used as initial guess for solver
@@ -220,11 +222,18 @@ namespace Grid {
 	// Check unprec residual if possible
 	/////////////////////////////////////////////////
 	if ( ! subGuess ) {	  
-	  _Matrix.M(out[b],resid); 
+
+	  if ( this->adjoint() ) _Matrix.Mdag(out[b],resid); 
+	  else                   _Matrix.M(out[b],resid); 
+
 	  resid = resid-in[b];
 	  RealD ns = norm2(in[b]);
 	  RealD nr = norm2(resid);
 	
+	  std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint "<< this->adjoint() << std::endl;
+	  if ( this->adjoint() ) 
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
+	  else                   
 	    std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid["<<b<<"] "<<std::sqrt(nr/ns) << std::endl;
 	} else {
 	  std::cout<<GridLogMessage<< "SchurRedBlackBase Guess subtracted after solve["<<b<<"] " << std::endl;
@@ -279,12 +288,21 @@ namespace Grid {
 
       // Verify the unprec residual
       if ( ! subGuess ) {
-        _Matrix.M(out,resid); 
+
+	std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint "<< this->adjoint() << std::endl;
+	
+	if ( this->adjoint() ) _Matrix.Mdag(out,resid); 
+	else                   _Matrix.M(out,resid); 
+
         resid = resid-in;
         RealD ns = norm2(in);
         RealD nr = norm2(resid);
 
-        std::cout<<GridLogMessage << "SchurRedBlackBase solver true unprec resid "<< std::sqrt(nr/ns) << std::endl;
+	  if ( this->adjoint() ) 
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase adjoint solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
+	  else                   
+	    std::cout<<GridLogMessage<< "SchurRedBlackBase solver true unprec resid "<<std::sqrt(nr/ns) << std::endl;
+
       } else {
         std::cout << GridLogMessage << "SchurRedBlackBase Guess subtracted after solve." << std::endl;
       }
@@ -293,6 +311,7 @@ namespace Grid {
     /////////////////////////////////////////////////////////////
     // Override in derived. 
     /////////////////////////////////////////////////////////////
+    virtual bool adjoint(void) { return false; }
     virtual void RedBlackSource  (Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)                =0;
     virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)          =0;
     virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)                           =0;
@@ -646,6 +665,127 @@ namespace Grid {
         this->_HermitianRBSolver(_OpEO, src_o, sol_o); 
       }
   };
+
+  /*
+   * Red black Schur decomposition
+   *
+   *  M = (Mee Meo) =  (1             0 )   (Mee   0               )  (1 Mee^{-1} Meo)
+   *      (Moe Moo)    (Moe Mee^-1    1 )   (0   Moo-Moe Mee^-1 Meo)  (0   1         )
+   *                =         L                     D                     U
+   *
+   * L^-1 = (1              0 )
+   *        (-MoeMee^{-1}   1 )   
+   * L^{dag} = ( 1       Mee^{-dag} Moe^{dag} )
+   *           ( 0       1                    )
+   *
+   * U^-1 = (1   -Mee^{-1} Meo)
+   *        (0    1           )
+   * U^{dag} = ( 1                 0)
+   *           (Meo^dag Mee^{-dag} 1)
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   *
+   *
+   ***********************
+   *     M^dag psi = eta
+   ***********************
+   *
+   * Really for Mobius: (Wilson - easier to just use gamma 5 hermiticity)
+   *
+   *    Mdag psi     =         Udag  Ddag  Ldag psi = eta
+   *
+   * U^{-dag} = (  1                 0)
+   *            (-Meo^dag Mee^{-dag} 1)
+   *
+   *
+   * i)                D^dag phi =  (U^{-dag}  eta)
+   *                        eta'_e = eta_e
+   *                        eta'_o = (eta_o - Meo^dag Mee^{-dag} eta_e)
+   * 
+   *      phi_o = D_oo^-dag eta'_o = D_oo^-dag (eta_o - Meo^dag Mee^{-dag} eta_e)
+   *
+   *      phi_e = D_ee^-dag eta'_e = D_ee^-dag eta_e
+   * 
+   * Solve: 
+   *
+   *      D_oo D_oo^dag phi_o = D_oo (eta_o - Meo^dag Mee^{-dag} eta_e)
+   *
+   * ii) 
+   *      phi = L^dag psi => psi = L^-dag phi. 
+   *
+   * L^{-dag} = ( 1      -Mee^{-dag} Moe^{dag} )
+   *            ( 0       1                    )
+   *
+   *   => sol_e = M_ee^-dag * ( src_e - Moe^dag phi_o )...
+   *   => sol_o = phi_o
+   */
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  // Site diagonal has Mooee on it, but solve the Adjoint system
+  ///////////////////////////////////////////////////////////////////////////////////////////////////////
+  template<class Field> class SchurRedBlackDiagMooeeDagSolve : public SchurRedBlackBase<Field> {
+  public:
+    typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
+
+    virtual bool adjoint(void) { return true; }
+    SchurRedBlackDiagMooeeDagSolve(OperatorFunction<Field> &HermitianRBSolver,
+				   const bool initSubGuess = false,
+				   const bool _solnAsInitGuess = false)  
+      : SchurRedBlackBase<Field> (HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
+
+    //////////////////////////////////////////////////////
+    // Override RedBlack specialisation
+    //////////////////////////////////////////////////////
+    virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field   tmp(grid);
+      Field  Mtmp(grid);
+
+      pickCheckerboard(Even,src_e,src);
+      pickCheckerboard(Odd ,src_o,src);
+      /////////////////////////////////////////////////////
+      // src_o = (source_o - Moe^dag MeeInvDag source_e)
+      /////////////////////////////////////////////////////
+      _Matrix.MooeeInvDag(src_e,tmp);  assert(  tmp.Checkerboard() ==Even);
+      _Matrix.MeooeDag   (tmp,Mtmp);   assert( Mtmp.Checkerboard() ==Odd);     
+      tmp=src_o-Mtmp;                  assert(  tmp.Checkerboard() ==Odd);     
+
+      // get the right Mpc
+      SchurDiagMooeeOperator<Matrix,Field> _HermOpEO(_Matrix);
+      _HermOpEO.Mpc(tmp,src_o);     assert(src_o.Checkerboard() ==Odd);
+    }
+    virtual void RedBlackSolve   (Matrix & _Matrix,const Field &src_o, Field &sol_o)
+    {
+      SchurDiagMooeeDagOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o); 
+    };
+    virtual void RedBlackSolve   (Matrix & _Matrix,const std::vector<Field> &src_o,  std::vector<Field> &sol_o)
+    {
+      SchurDiagMooeeDagOperator<Matrix,Field> _HermOpEO(_Matrix);
+      this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
+    }
+    virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
+    {
+      GridBase *grid = _Matrix.RedBlackGrid();
+      GridBase *fgrid= _Matrix.Grid();
+
+      Field  sol_e(grid);
+      Field  tmp(grid);
+      ///////////////////////////////////////////////////
+      // sol_e = M_ee^-dag * ( src_e - Moe^dag phi_o )...
+      // sol_o = phi_o
+      ///////////////////////////////////////////////////
+      _Matrix.MeooeDag(sol_o,tmp);      assert(tmp.Checkerboard()==Even);
+      tmp = src_e-tmp;                  assert(tmp.Checkerboard()==Even);
+      _Matrix.MooeeInvDag(tmp,sol_e);   assert(sol_e.Checkerboard()==Even);
+      
+      setCheckerboard(sol,sol_e); assert(  sol_e.Checkerboard() ==Even);
+      setCheckerboard(sol,sol_o); assert(  sol_o.Checkerboard() ==Odd );
+    }
+  };
+
 }
 
 #endif

Grid/allocator/MemoryManager.cc

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

Grid/allocator/MemoryManager.h

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

Grid/allocator/MemoryManagerCache.cc

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

Grid/allocator/MemoryManagerShared.cc

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

Grid/communicator/Communicator_base.h

@@ -53,11 +53,10 @@ public:
   // Communicator should know nothing of the physics grid, only processor grid.
   ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
-  int              _processor;       // linear processor rank
-  unsigned long    _ndimension;
-  Coordinate _shm_processors;  // Which dimensions get relayed out over processors lanes.
   Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
+  int              _processor;       // linear processor rank
   Coordinate _processor_coor;  // linear processor coordinate
+  unsigned long    _ndimension;
   static Grid_MPI_Comm      communicator_world;
   Grid_MPI_Comm             communicator;
   std::vector<Grid_MPI_Comm> communicator_halo;
@@ -98,7 +97,6 @@ public:
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
   const Coordinate & ThisProcessorCoor(void) ;
-  const Coordinate & ShmGrid(void)  { return _shm_processors; }  ;
   const Coordinate & ProcessorGrid(void)     ;
   int                      ProcessorCount(void)    ;
 
@@ -144,16 +142,16 @@ public:
 		      int bytes);
   
   double StencilSendToRecvFrom(void *xmit,
-			       int xmit_to_rank,int do_xmit,
+			       int xmit_to_rank,
 			       void *recv,
-			       int recv_from_rank,int do_recv,
+			       int recv_from_rank,
 			       int bytes,int dir);
 
   double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 				    void *xmit,
-				    int xmit_to_rank,int do_xmit,
+				    int xmit_to_rank,
 				    void *recv,
-				    int recv_from_rank,int do_recv,
+				    int recv_from_rank,
 				    int bytes,int dir);
   
   

Grid/communicator/Communicator_mpi3.cc

@@ -106,7 +106,7 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
   // Remap using the shared memory optimising routine
   // The remap creates a comm which must be freed
   ////////////////////////////////////////////////////
-  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm,_shm_processors);
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
   ///////////////////////////////////////////////////
@@ -124,13 +124,12 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
   int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
   Coordinate parent_processor_coor(_ndimension,0);
   Coordinate parent_processors    (_ndimension,1);
-  Coordinate shm_processors       (_ndimension,1);
+
   // Can make 5d grid from 4d etc...
   int pad = _ndimension-parent_ndimension;
   for(int d=0;d<parent_ndimension;d++){
     parent_processor_coor[pad+d]=parent._processor_coor[d];
     parent_processors    [pad+d]=parent._processors[d];
-    shm_processors       [pad+d]=parent._shm_processors[d];
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -155,7 +154,6 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
     ccoor[d] = parent_processor_coor[d] % processors[d];
     scoor[d] = parent_processor_coor[d] / processors[d];
     ssize[d] = parent_processors[d]     / processors[d];
-    if ( processors[d] < shm_processors[d] ) shm_processors[d] = processors[d]; // subnode splitting.
   }
 
   // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
@@ -337,22 +335,22 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 }
 // Basic Halo comms primitive
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int dest, int dox,
+						     int dest,
 						     void *recv,
-						     int from, int dor,
+						     int from,
 						     int bytes,int dir)
 {
   std::vector<CommsRequest_t> list;
-  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,dox,recv,from,dor,bytes,dir);
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
   StencilSendToRecvFromComplete(list,dir);
   return offbytes;
 }
 
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int dest,int dox,
+							 int dest,
 							 void *recv,
-							 int from,int dor,
+							 int from,
 							 int bytes,int dir)
 {
   int ncomm  =communicator_halo.size();
@@ -372,7 +370,6 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   double off_node_bytes=0.0;
   int tag;
 
-  if ( dox ) {
   if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
     tag= dir+from*32;
     ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
@@ -380,9 +377,7 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
     list.push_back(rrq);
     off_node_bytes+=bytes;
   }
-  }
 
-  if (dor) {
   if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
     tag= dir+_processor*32;
     ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
@@ -393,9 +388,8 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
     // TODO : make a OMP loop on CPU, call threaded bcopy
     void *shm = (void *) this->ShmBufferTranslate(dest,recv);
     assert(shm!=NULL);
-      //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
     acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
-    }
+    acceleratorCopySynchronise(); // MPI prob slower
   }
 
   if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
@@ -406,9 +400,6 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &list,int dir)
 {
-  //   std::cout << "Copy Synchronised\n"<<std::endl;
-  acceleratorCopySynchronise();
-
   int nreq=list.size();
 
   if (nreq==0) return;

Grid/communicator/Communicator_none.cc

@@ -45,14 +45,12 @@ void CartesianCommunicator::Init(int *argc, char *** arv)
 CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const CartesianCommunicator &parent,int &srank) 
   : CartesianCommunicator(processors) 
 {
-  _shm_processors = Coordinate(processors.size(),1);
   srank=0;
   SetCommunicator(communicator_world);
 }
 
 CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
 {
-  _shm_processors = Coordinate(processors.size(),1);
   _processors = processors;
   _ndimension = processors.size();  assert(_ndimension>=1);
   _processor_coor.resize(_ndimension);
@@ -113,18 +111,18 @@ void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest
 }
 
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int xmit_to_rank,int dox,
+						     int xmit_to_rank,
 						     void *recv,
-						     int recv_from_rank,int dor,
+						     int recv_from_rank,
 						     int bytes, int dir)
 {
   return 2.0*bytes;
 }
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int xmit_to_rank,int dox,
+							 int xmit_to_rank,
 							 void *recv,
-							 int recv_from_rank,int dor,
+							 int recv_from_rank,
 							 int bytes, int dir)
 {
   return 2.0*bytes;

Grid/communicator/SharedMemory.h

@@ -93,10 +93,9 @@ public:
   // Create an optimal reordered communicator that makes MPI_Cart_create get it right
   //////////////////////////////////////////////////////////////////////////////////////
   static void Init(Grid_MPI_Comm comm); // Typically MPI_COMM_WORLD
-  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorHypercube   (const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
+  static void OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &ShmDims); 
   static void GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims);
   ///////////////////////////////////////////////////
   // Provide shared memory facilities off comm world

Grid/communicator/SharedMemoryMPI.cc

@@ -152,7 +152,7 @@ int Log2Size(int TwoToPower,int MAXLOG2)
   }
   return log2size;
 }
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
 {
   //////////////////////////////////////////////////////////////////////////////
   // Look and see if it looks like an HPE 8600 based on hostname conventions
@@ -165,8 +165,8 @@ void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_M
   gethostname(name,namelen);
   int nscan = sscanf(name,"r%di%dn%d",&R,&I,&N) ;
 
-  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
+  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm);
-  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm,SHM);
+  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm);
 }
 static inline int divides(int a,int b)
 {
@@ -221,7 +221,7 @@ void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmD
     dim=(dim+1) %ndimension;
   }
 }
-void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
 {
   ////////////////////////////////////////////////////////////////
   // Assert power of two shm_size.
@@ -294,7 +294,6 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   Coordinate HyperCoor(ndimension);
 
   GetShmDims(WorldDims,ShmDims);
-  SHM = ShmDims;
 
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
@@ -342,7 +341,7 @@ void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processo
   int ierr= MPI_Comm_split(WorldComm,0,rank,&optimal_comm);
   assert(ierr==0);
 }
-void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
 {
   ////////////////////////////////////////////////////////////////
   // Identify subblock of ranks on node spreading across dims
@@ -354,8 +353,6 @@ void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &proce
   Coordinate ShmCoor(ndimension);    Coordinate NodeCoor(ndimension);   Coordinate WorldCoor(ndimension);
 
   GetShmDims(WorldDims,ShmDims);
-  SHM=ShmDims;
-
   ////////////////////////////////////////////////////////////////
   // Establish torus of processes and nodes with sub-blockings
   ////////////////////////////////////////////////////////////////

Grid/communicator/SharedMemoryNone.cc

@@ -48,10 +48,9 @@ void GlobalSharedMemory::Init(Grid_MPI_Comm comm)
   _ShmSetup=1;
 }
 
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
 {
   optimal_comm = WorldComm;
-  SHM = Coordinate(processors.size(),1);
 }
 
 ////////////////////////////////////////////////////////////////////////////////////////////

Grid/lattice/Lattice_base.h

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

Grid/lattice/Lattice_reduction_gpu.h

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

Grid/lattice/Lattice_rng.h

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

Grid/lattice/Lattice_transfer.h

@@ -85,76 +85,6 @@ template<class vobj> inline void setCheckerboard(Lattice<vobj> &full,const Latti
   });
 }
 
-template<class vobj> inline void acceleratorPickCheckerboard(int cb,Lattice<vobj> &half,const Lattice<vobj> &full, int checker_dim_half=0)
-{
-  half.Checkerboard() = cb;
-  autoView(half_v, half, AcceleratorWrite);
-  autoView(full_v, full, AcceleratorRead);
-  Coordinate rdim_full             = full.Grid()->_rdimensions;
-  Coordinate rdim_half             = half.Grid()->_rdimensions;
-  unsigned long ndim_half          = half.Grid()->_ndimension;
-  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
-  Coordinate ostride_half          = half.Grid()->_ostride;
-  accelerator_for(ss, full.Grid()->oSites(),full.Grid()->Nsimd(),{
-    
-    Coordinate coor;
-    int cbos;
-    int linear=0;
-
-    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
-    assert(coor.size()==ndim_half);
-
-    for(int d=0;d<ndim_half;d++){ 
-      if(checker_dim_mask_half[d]) linear += coor[d];
-    }
-    cbos = (linear&0x1);
-
-    if (cbos==cb) {
-      int ssh=0;
-      for(int d=0;d<ndim_half;d++) {
-        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
-        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
-      }
-      coalescedWrite(half_v[ssh],full_v(ss));
-    }
-  });
-}
-template<class vobj> inline void acceleratorSetCheckerboard(Lattice<vobj> &full,const Lattice<vobj> &half, int checker_dim_half=0)
-{
-  int cb = half.Checkerboard();
-  autoView(half_v , half, AcceleratorRead);
-  autoView(full_v , full, AcceleratorWrite);
-  Coordinate rdim_full             = full.Grid()->_rdimensions;
-  Coordinate rdim_half             = half.Grid()->_rdimensions;
-  unsigned long ndim_half          = half.Grid()->_ndimension;
-  Coordinate checker_dim_mask_half = half.Grid()->_checker_dim_mask;
-  Coordinate ostride_half          = half.Grid()->_ostride;
-  accelerator_for(ss,full.Grid()->oSites(),full.Grid()->Nsimd(),{
-
-    Coordinate coor;
-    int cbos;
-    int linear=0;
-  
-    Lexicographic::CoorFromIndex(coor,ss,rdim_full);
-    assert(coor.size()==ndim_half);
-
-    for(int d=0;d<ndim_half;d++){ 
-      if(checker_dim_mask_half[d]) linear += coor[d];
-    }
-    cbos = (linear&0x1);
-
-    if (cbos==cb) {
-      int ssh=0;
-      for(int d=0;d<ndim_half;d++){
-        if (d == checker_dim_half) ssh += ostride_half[d] * ((coor[d] / 2) % rdim_half[d]);
-        else ssh += ostride_half[d] * (coor[d] % rdim_half[d]);
-      }
-      coalescedWrite(full_v[ss],half_v(ssh));
-    }
-
-  });
-}
-
 ////////////////////////////////////////////////////////////////////////////////////////////
 // Flexible Type Conversion for internal promotion to double as well as graceful
 // treatment of scalar-compatible types
@@ -855,7 +785,7 @@ void ExtractSliceLocal(Lattice<vobj> &lowDim,const Lattice<vobj> & higherDim,int
 
 
 template<class vobj>
-void Replicate(Lattice<vobj> &coarse,Lattice<vobj> & fine)
+void Replicate(const Lattice<vobj> &coarse,Lattice<vobj> & fine)
 {
   typedef typename vobj::scalar_object sobj;
 
@@ -1080,54 +1010,96 @@ vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   });
 }
 
-//Convert a Lattice from one precision to another
+//The workspace for a precision change operation allowing for the reuse of the mapping to save time on subsequent calls
-template<class VobjOut, class VobjIn>
+class precisionChangeWorkspace{
-void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+  std::pair<Integer,Integer>* fmap_device; //device pointer
-{
+public:
-  assert(out.Grid()->Nd() == in.Grid()->Nd());
+  precisionChangeWorkspace(GridBase *out_grid, GridBase *in_grid){
-  for(int d=0;d<out.Grid()->Nd();d++){
+    //Build a map between the sites and lanes of the output field and the input field as we cannot use the Grids on the device
-    assert(out.Grid()->FullDimensions()[d] == in.Grid()->FullDimensions()[d]);
+    assert(out_grid->Nd() == in_grid->Nd());
+    for(int d=0;d<out_grid->Nd();d++){
+      assert(out_grid->FullDimensions()[d] == in_grid->FullDimensions()[d]);
     }
-  out.Checkerboard() = in.Checkerboard();
+    int Nsimd_out = out_grid->Nsimd();
-  GridBase *in_grid=in.Grid();
-  GridBase *out_grid = out.Grid();
 
-  typedef typename VobjOut::scalar_object SobjOut;
+    std::vector<Coordinate> out_icorrs(out_grid->Nsimd()); //reuse these
-  typedef typename VobjIn::scalar_object SobjIn;
+    for(int lane=0; lane < out_grid->Nsimd(); lane++)
+      out_grid->iCoorFromIindex(out_icorrs[lane], lane);
   
-  int ndim = out.Grid()->Nd();
+    std::vector<std::pair<Integer,Integer> > fmap_host(out_grid->lSites()); //lsites = osites*Nsimd
-  int out_nsimd = out_grid->Nsimd();
-    
-  std::vector<Coordinate > out_icoor(out_nsimd);
-      
-  for(int lane=0; lane < out_nsimd; lane++){
-    out_icoor[lane].resize(ndim);
-    out_grid->iCoorFromIindex(out_icoor[lane], lane);
-  }
-        
-  std::vector<SobjOut> in_slex_conv(in_grid->lSites());
-  unvectorizeToLexOrdArray(in_slex_conv, in);
-    
-  autoView( out_v , out, CpuWrite);
     thread_for(out_oidx,out_grid->oSites(),{
-    Coordinate out_ocoor(ndim);
+	Coordinate out_ocorr; 
-    out_grid->oCoorFromOindex(out_ocoor, out_oidx);
+	out_grid->oCoorFromOindex(out_ocorr, out_oidx);
       
-    ExtractPointerArray<SobjOut> ptrs(out_nsimd);      
+	Coordinate lcorr; //the local coordinate (common to both in and out as full coordinate)
+	for(int out_lane=0; out_lane < Nsimd_out; out_lane++){
+	  out_grid->InOutCoorToLocalCoor(out_ocorr, out_icorrs[out_lane], lcorr);
 	
-    Coordinate lcoor(out_grid->Nd());
+	  //int in_oidx = in_grid->oIndex(lcorr), in_lane = in_grid->iIndex(lcorr);
-      
+	  //Note oIndex and OcorrFromOindex (and same for iIndex) are not inverse for checkerboarded lattice, the former coordinates being defined on the full lattice and the latter on the reduced lattice
-    for(int lane=0; lane < out_nsimd; lane++){
+	  //Until this is fixed we need to circumvent the problem locally. Here I will use the coordinates defined on the reduced lattice for simplicity
-      for(int mu=0;mu<ndim;mu++)
+	  int in_oidx = 0, in_lane = 0;
-	lcoor[mu] = out_ocoor[mu] + out_grid->_rdimensions[mu]*out_icoor[lane][mu];
+	  for(int d=0;d<in_grid->_ndimension;d++){
-	
+	    in_oidx += in_grid->_ostride[d] * ( lcorr[d] % in_grid->_rdimensions[d] );
-      int llex; Lexicographic::IndexFromCoor(lcoor, llex, out_grid->_ldimensions);
+	    in_lane += in_grid->_istride[d] * ( lcorr[d] / in_grid->_rdimensions[d] );
-      ptrs[lane] = &in_slex_conv[llex];
+	  }
+	  fmap_host[out_lane + Nsimd_out*out_oidx] = std::pair<Integer,Integer>( in_oidx, in_lane );
+	}
+      });
+
+    //Copy the map to the device (if we had a way to tell if an accelerator is in use we could avoid this copy for CPU-only machines)
+    size_t fmap_bytes = out_grid->lSites() * sizeof(std::pair<Integer,Integer>);
+    fmap_device = (std::pair<Integer,Integer>*)acceleratorAllocDevice(fmap_bytes);
+    acceleratorCopyToDevice(fmap_host.data(), fmap_device, fmap_bytes); 
+  }
+
+  //Prevent moving or copying
+  precisionChangeWorkspace(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace(precisionChangeWorkspace &&r) = delete;
+  precisionChangeWorkspace &operator=(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace &operator=(precisionChangeWorkspace &&r) = delete;
+  
+  std::pair<Integer,Integer> const* getMap() const{ return fmap_device; }
+
+  ~precisionChangeWorkspace(){
+    acceleratorFreeDevice(fmap_device);
+  }
+};
+
+
+//Convert a lattice of one precision to another. The input workspace contains the mapping data.
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, const precisionChangeWorkspace &workspace){
+  static_assert( std::is_same<typename VobjOut::DoublePrecision, typename VobjIn::DoublePrecision>::value == 1, "copyLane: tensor types must be the same" ); //if tensor types are same the DoublePrecision type must be the same
+
+  out.Checkerboard() = in.Checkerboard();
+  constexpr int Nsimd_out = VobjOut::Nsimd();
+
+  std::pair<Integer,Integer> const* fmap_device = workspace.getMap();
+
+  //Do the copy/precision change
+  autoView( out_v , out, AcceleratorWrite);
+  autoView( in_v , in, AcceleratorRead);
+
+  accelerator_for(out_oidx, out.Grid()->oSites(), 1,{
+      std::pair<Integer,Integer> const* fmap_osite = fmap_device + out_oidx*Nsimd_out;
+      for(int out_lane=0; out_lane < Nsimd_out; out_lane++){      
+	int in_oidx = fmap_osite[out_lane].first;
+	int in_lane = fmap_osite[out_lane].second;
+	copyLane(out_v[out_oidx], out_lane, in_v[in_oidx], in_lane);
       }
-    merge(out_v[out_oidx], ptrs, 0);
     });
 }
 
+//Convert a Lattice from one precision to another
+//Generate the workspace in place; if multiple calls with the same mapping are performed, consider pregenerating the workspace and reusing
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
+  precisionChangeWorkspace workspace(out.Grid(), in.Grid());
+  precisionChange(out, in, workspace);
+}
+
+
 ////////////////////////////////////////////////////////////////////////////////
 // Communicate between grids
 ////////////////////////////////////////////////////////////////////////////////

Grid/parallelIO/IldgIO.h

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

Grid/parallelIO/NerscIO.h

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

Grid/qcd/QCD.h

@@ -63,6 +63,7 @@ static constexpr int Ngp=2; // gparity index range
 #define ColourIndex  (2)
 #define SpinIndex    (1)
 #define LorentzIndex (0)
+#define GparityFlavourIndex (0)
 
 // Also should make these a named enum type
 static constexpr int DaggerNo=0;
@@ -87,6 +88,8 @@ template<typename T> struct isCoarsened {
 template <typename T> using IfCoarsened    = Invoke<std::enable_if< isCoarsened<T>::value,int> > ;
 template <typename T> using IfNotCoarsened = Invoke<std::enable_if<!isCoarsened<T>::value,int> > ;
 
+const int GparityFlavourTensorIndex = 3; //TensorLevel counts from the bottom!
+
 // ChrisK very keen to add extra space for Gparity doubling.
 //
 // Also add domain wall index, in a way where Wilson operator 
@@ -101,6 +104,7 @@ template<typename vtype> using iSpinMatrix                = iScalar<iMatrix<iSca
 template<typename vtype> using iColourMatrix              = iScalar<iScalar<iMatrix<vtype, Nc> > > ;
 template<typename vtype> using iSpinColourMatrix          = iScalar<iMatrix<iMatrix<vtype, Nc>, Ns> >;
 template<typename vtype> using iLorentzColourMatrix       = iVector<iScalar<iMatrix<vtype, Nc> >, Nd > ;
+template<typename vtype> using iLorentzVector             = iVector<iScalar<iScalar<vtype> >, Nd > ;
 template<typename vtype> using iDoubleStoredColourMatrix  = iVector<iScalar<iMatrix<vtype, Nc> >, Nds > ;
 template<typename vtype> using iSpinVector                = iScalar<iVector<iScalar<vtype>, Ns> >;
 template<typename vtype> using iColourVector              = iScalar<iScalar<iVector<vtype, Nc> > >;
@@ -110,8 +114,10 @@ template<typename vtype> using iHalfSpinColourVector      = iScalar<iVector<iVec
     template<typename vtype> using iSpinColourSpinColourMatrix  = iScalar<iMatrix<iMatrix<iMatrix<iMatrix<vtype, Nc>, Ns>, Nc>, Ns> >;
 
 
+template<typename vtype> using iGparityFlavourVector                = iVector<iScalar<iScalar<vtype> >, Ngp>;
 template<typename vtype> using iGparitySpinColourVector       = iVector<iVector<iVector<vtype, Nc>, Ns>, Ngp >;
 template<typename vtype> using iGparityHalfSpinColourVector   = iVector<iVector<iVector<vtype, Nc>, Nhs>, Ngp >;
+template<typename vtype> using iGparityFlavourMatrix = iMatrix<iScalar<iScalar<vtype> >, Ngp>;
 
 // Spin matrix
 typedef iSpinMatrix<Complex  >          SpinMatrix;
@@ -158,7 +164,16 @@ typedef iSpinColourSpinColourMatrix<vComplex >    vSpinColourSpinColourMatrix;
 typedef iSpinColourSpinColourMatrix<vComplexF>    vSpinColourSpinColourMatrixF;
 typedef iSpinColourSpinColourMatrix<vComplexD>    vSpinColourSpinColourMatrixD;
 
-// LorentzColour
+// LorentzVector
+typedef iLorentzVector<Complex  > LorentzVector;
+typedef iLorentzVector<ComplexF > LorentzVectorF;
+typedef iLorentzVector<ComplexD > LorentzVectorD;
+
+typedef iLorentzVector<vComplex > vLorentzVector;
+typedef iLorentzVector<vComplexF> vLorentzVectorF;
+typedef iLorentzVector<vComplexD> vLorentzVectorD;
+
+// LorentzColourMatrix
 typedef iLorentzColourMatrix<Complex  > LorentzColourMatrix;
 typedef iLorentzColourMatrix<ComplexF > LorentzColourMatrixF;
 typedef iLorentzColourMatrix<ComplexD > LorentzColourMatrixD;
@@ -176,6 +191,16 @@ typedef iDoubleStoredColourMatrix<vComplex > vDoubleStoredColourMatrix;
 typedef iDoubleStoredColourMatrix<vComplexF> vDoubleStoredColourMatrixF;
 typedef iDoubleStoredColourMatrix<vComplexD> vDoubleStoredColourMatrixD;
 
+//G-parity flavour matrix
+typedef iGparityFlavourMatrix<Complex> GparityFlavourMatrix;
+typedef iGparityFlavourMatrix<ComplexF> GparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<ComplexD> GparityFlavourMatrixD;
+
+typedef iGparityFlavourMatrix<vComplex> vGparityFlavourMatrix;
+typedef iGparityFlavourMatrix<vComplexF> vGparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<vComplexD> vGparityFlavourMatrixD;
+
+
 // Spin vector
 typedef iSpinVector<Complex >           SpinVector;
 typedef iSpinVector<ComplexF>           SpinVectorF;
@@ -221,6 +246,16 @@ typedef iHalfSpinColourVector<vComplex > vHalfSpinColourVector;
 typedef iHalfSpinColourVector<vComplexF> vHalfSpinColourVectorF;
 typedef iHalfSpinColourVector<vComplexD> vHalfSpinColourVectorD;
 
+//G-parity flavour vector
+typedef iGparityFlavourVector<Complex >         GparityFlavourVector;
+typedef iGparityFlavourVector<ComplexF>         GparityFlavourVectorF;
+typedef iGparityFlavourVector<ComplexD>         GparityFlavourVectorD;
+
+typedef iGparityFlavourVector<vComplex >         vGparityFlavourVector;
+typedef iGparityFlavourVector<vComplexF>         vGparityFlavourVectorF;
+typedef iGparityFlavourVector<vComplexD>         vGparityFlavourVectorD;
+
+    
 // singlets
 typedef iSinglet<Complex >         TComplex;     // FIXME This is painful. Tensor singlet complex type.
 typedef iSinglet<ComplexF>         TComplexF;    // FIXME This is painful. Tensor singlet complex type.
@@ -263,6 +298,10 @@ typedef Lattice<vLorentzColourMatrix>  LatticeLorentzColourMatrix;
 typedef Lattice<vLorentzColourMatrixF> LatticeLorentzColourMatrixF;
 typedef Lattice<vLorentzColourMatrixD> LatticeLorentzColourMatrixD;
 
+typedef Lattice<vLorentzVector>  LatticeLorentzVector;
+typedef Lattice<vLorentzVectorF> LatticeLorentzVectorF;
+typedef Lattice<vLorentzVectorD> LatticeLorentzVectorD;
+
 // DoubleStored gauge field
 typedef Lattice<vDoubleStoredColourMatrix>  LatticeDoubleStoredColourMatrix;
 typedef Lattice<vDoubleStoredColourMatrixF> LatticeDoubleStoredColourMatrixF;

Grid/qcd/action/Action.h

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

Grid/qcd/action/ActionCore.h

@@ -37,10 +37,6 @@ NAMESPACE_CHECK(ActionSet);
 #include <Grid/qcd/action/ActionParams.h>
 NAMESPACE_CHECK(ActionParams);
 
-#include <Grid/qcd/action/filters/MomentumFilter.h>
-#include <Grid/qcd/action/filters/DirichletFilter.h>
-#include <Grid/qcd/action/filters/DDHMCFilter.h>
-
 ////////////////////////////////////////////
 // Gauge Actions
 ////////////////////////////////////////////
@@ -62,6 +58,8 @@ NAMESPACE_CHECK(Scalar);
 ////////////////////////////////////////////
 // Utility functions
 ////////////////////////////////////////////
+#include <Grid/qcd/action/domains/Domains.h>
+
 #include <Grid/qcd/utils/Metric.h>
 NAMESPACE_CHECK(Metric);
 #include <Grid/qcd/utils/CovariantLaplacian.h>

Grid/qcd/action/ActionParams.h

@@ -36,28 +36,34 @@ NAMESPACE_BEGIN(Grid);
 
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
-  Coordinate twists;
+  Coordinate twists; //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
-  GparityWilsonImplParams() : twists(Nd, 0) {};
+                     //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+  bool locally_periodic;
+  GparityWilsonImplParams() : twists(Nd, 0), locally_periodic(false) {};
 };
   
 struct WilsonImplParams {
   bool overlapCommsCompute;
+  bool locally_periodic;
   AcceleratorVector<Real,Nd> twist_n_2pi_L;
   AcceleratorVector<Complex,Nd> boundary_phases;
   WilsonImplParams()  {
     boundary_phases.resize(Nd, 1.0);
       twist_n_2pi_L.resize(Nd, 0.0);
+      locally_periodic = false;
   };
   WilsonImplParams(const AcceleratorVector<Complex,Nd> phi) : boundary_phases(phi), overlapCommsCompute(false) {
     twist_n_2pi_L.resize(Nd, 0.0);
+    locally_periodic = false;
   }
 };
 
 struct StaggeredImplParams {
-  StaggeredImplParams()  {};
+  bool locally_periodic;
+  StaggeredImplParams() : locally_periodic(false) {};
 };
   
-  struct OneFlavourRationalParams : Serializable {
+struct OneFlavourRationalParams : Serializable {
     GRID_SERIALIZABLE_CLASS_MEMBERS(OneFlavourRationalParams, 
 				    RealD, lo, 
 				    RealD, hi, 
@@ -86,6 +92,50 @@ struct StaggeredImplParams {
         BoundsCheckFreq(_BoundsCheckFreq){};
   };
 
+
+  /*Action parameters for the generalized rational action
+    The approximation is for (M^dag M)^{1/inv_pow}
+    where inv_pow is the denominator of the fractional power.
+    Default inv_pow=2 for square root, making this equivalent to 
+    the OneFlavourRational action
+  */
+    struct RationalActionParams : Serializable {
+    GRID_SERIALIZABLE_CLASS_MEMBERS(RationalActionParams, 
+				    int, inv_pow, 
+				    RealD, lo, //low eigenvalue bound of rational approx
+				    RealD, hi, //high eigenvalue bound of rational approx
+				    int,   MaxIter,  //maximum iterations in msCG
+				    RealD, action_tolerance,  //msCG tolerance in action evaluation
+				    int,   action_degree, //rational approx tolerance in action evaluation
+				    RealD, md_tolerance,  //msCG tolerance in MD integration
+				    int,   md_degree, //rational approx tolerance in MD integration
+				    int,   precision, //precision of floating point arithmetic
+				    int,   BoundsCheckFreq); //frequency the approximation is tested (with Metropolis degree/tolerance); 0 disables the check
+  // constructor 
+  RationalActionParams(int _inv_pow = 2,
+		       RealD _lo      = 0.0, 
+		       RealD _hi      = 1.0, 
+		       int _maxit     = 1000,
+		       RealD _action_tolerance      = 1.0e-8, 
+		       int _action_degree    = 10,
+		       RealD _md_tolerance      = 1.0e-8, 
+		       int _md_degree    = 10,
+		       int _precision = 64,
+		       int _BoundsCheckFreq=20)
+    : inv_pow(_inv_pow), 
+      lo(_lo),
+      hi(_hi),
+      MaxIter(_maxit),
+      action_tolerance(_action_tolerance),
+      action_degree(_action_degree),
+      md_tolerance(_md_tolerance),
+      md_degree(_md_degree),
+      precision(_precision),
+      BoundsCheckFreq(_BoundsCheckFreq){};
+  };
+
+
+  
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/domains/DDHMCFilter.h

@@ -0,0 +1,52 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/DDHMC.h
+
+Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Christopher Kelly
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+
+NAMESPACE_BEGIN(Grid);
+////////////////////////////////////////////////////
+// DDHMC filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+
+template<typename MomentaField>
+struct DDHMCFilter: public MomentumFilterBase<MomentaField>
+{
+  Coordinate Block;
+  int Width;
+  
+  DDHMCFilter(const Coordinate &_Block): Block(_Block) {}
+
+  void applyFilter(MomentaField &P) const override
+  {
+    DomainDecomposition Domains(Block);
+    Domains.ProjectDDHMC(P);
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/domains/DirichletFilter.h

@@ -0,0 +1,98 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/momentum/DirichletFilter.h
+
+Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+#include <Grid/qcd/action/domains/DomainDecomposition.h>
+
+NAMESPACE_BEGIN(Grid);
+
+
+template<typename MomentaField>
+struct DirichletFilter: public MomentumFilterBase<MomentaField>
+{
+  Coordinate Block;
+  
+  DirichletFilter(const Coordinate &_Block): Block(_Block) {}
+
+  // Edge detect using domain projectors
+  void applyFilter (MomentaField &U) const override
+  {
+    DomainDecomposition Domains(Block);
+    GridBase *grid = U.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid);   one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger  omega(grid);
+    LatticeInteger  omegabar(grid);
+    LatticeInteger  tmp(grid);
+
+    omega=one;    Domains.ProjectDomain(omega,0);
+    omegabar=one; Domains.ProjectDomain(omegabar,1);
+    
+    LatticeInteger nface(grid); nface=Zero();
+    
+    MomentaField projected(grid); projected=Zero();
+    typedef decltype(PeekIndex<LorentzIndex>(U,0)) MomentaLinkField;
+    MomentaLinkField  Umu(grid);
+    MomentaLinkField   zz(grid); zz=Zero();
+
+    int dims = grid->Nd();
+    Coordinate Global=grid->GlobalDimensions();
+    assert(dims==Nd);
+
+    for(int mu=0;mu<Nd;mu++){
+
+      if ( Block[mu]!=0 ) {
+
+	Umu = PeekIndex<LorentzIndex>(U,mu);
+
+	// Upper face 
+ 	tmp = Cshift(omegabar,mu,1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	Umu = where(face,zz,Umu);
+
+	PokeIndex<LorentzIndex>(U, Umu, mu);
+      }
+    }
+  }
+  
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/domains/DomainDecomposition.h

@@ -0,0 +1,187 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/domains/DomainDecomposition.h
+
+Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+
+NAMESPACE_BEGIN(Grid);
+
+
+struct DomainDecomposition
+{
+  Coordinate Block;
+  static constexpr RealD factor = 0.6;
+
+  DomainDecomposition(const Coordinate &_Block): Block(_Block){ assert(Block.size()==Nd);};
+  
+  template<class Field>
+  void ProjectDomain(Field &f,Integer domain)
+  {
+    GridBase *grid = f.Grid();
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+
+    Field   zz(grid);  zz = Zero();
+    LatticeInteger coor(grid);
+    LatticeInteger domaincoor(grid);
+    LatticeInteger mask(grid); mask = Integer(1);
+    LatticeInteger zi(grid);     zi = Integer(0);
+    for(int d=0;d<Nd;d++){
+      Integer B= Block[d];
+      if ( B ) {
+	LatticeCoordinate(coor,d+isDWF);
+	domaincoor = mod(coor,B);
+	mask = where(domaincoor==Integer(0),zi,mask);
+	mask = where(domaincoor==Integer(B-1),zi,mask);
+      }
+    }
+    if ( !domain )
+      f = where(mask==Integer(1),f,zz);
+    else 
+      f = where(mask==Integer(0),f,zz);
+  };
+  template<class GaugeField>
+  void ProjectDDHMC(GaugeField &U)
+  {
+    GridBase *grid = U.Grid();
+    Coordinate Global=grid->GlobalDimensions();
+    GaugeField zzz(grid); zzz = Zero();
+    LatticeInteger coor(grid); 
+
+    GaugeField Uorg(grid); Uorg = U;
+    
+    auto zzz_mu = PeekIndex<LorentzIndex>(zzz,0);
+    ////////////////////////////////////////////////////
+    // Zero BDY layers
+    ////////////////////////////////////////////////////
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+	LatticeCoordinate(coor,mu);
+
+
+	////////////////////////////////
+	// OmegaBar - zero all links contained in slice B-1,0 and
+	// mu links connecting to Omega
+	////////////////////////////////
+
+	U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	U_mu = where(mod(coor,B1)==Integer(B1-2),zzz_mu,U_mu); 
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+
+      }
+    }
+   
+    ////////////////////////////////////////////
+    // Omega interior slow the evolution
+    // Tricky as we need to take the smallest of values imposed by each cut
+    // Do them in order or largest to smallest and smallest writes last
+    ////////////////////////////////////////////
+    RealD f= factor;
+#if 0    
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-5),Uorg*f,U); 
+	U = where(mod(coor,B1)==Integer(4)   ,Uorg*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-6),Uorg_mu*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(4)   ,Uorg_mu*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+#endif
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-4),Uorg*f*f,U); 
+	U = where(mod(coor,B1)==Integer(3)   ,Uorg*f*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-5),Uorg_mu*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(3)   ,Uorg_mu*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-3),Uorg*f*f*f,U); 
+	U = where(mod(coor,B1)==Integer(2)   ,Uorg*f*f*f,U); 
+
+	// Perp links
+       	U_mu = where(mod(coor,B1)==Integer(B1-4),Uorg_mu*f*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(2)   ,Uorg_mu*f*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+    for(int mu=0;mu<Nd;mu++) {
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+
+	auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	auto Uorg_mu= PeekIndex<LorentzIndex>(Uorg,mu);
+	// In the plane
+	U = where(mod(coor,B1)==Integer(B1-2),zzz,U); 
+	U = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+
+	// Perp links
+	U_mu = where(mod(coor,B1)==Integer(B1-3),Uorg_mu*f*f*f*f,U_mu);
+	U_mu = where(mod(coor,B1)==Integer(1)   ,Uorg_mu*f*f*f*f,U_mu);
+
+	PokeIndex<LorentzIndex>(U, U_mu, mu);
+      }
+    }
+  }
+};
+
+NAMESPACE_END(Grid);

Grid/qcd/action/domains/Domains.h

@@ -0,0 +1,39 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/momentum/Domains.h
+
+Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+			   /*  END LEGAL */
+
+////////////////////////////////////////////////////
+// Dirichlet filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+#pragma once 
+
+#include <Grid/qcd/action/domains/DomainDecomposition.h>
+#include <Grid/qcd/action/domains/MomentumFilter.h>
+#include <Grid/qcd/action/domains/DirichletFilter.h>
+#include <Grid/qcd/action/domains/DDHMCFilter.h>
+

Grid/qcd/action/domains/MomentumFilter.h

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

Grid/qcd/action/fermion/CayleyFermion5D.h

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

Grid/qcd/action/fermion/CompactWilsonCloverFermion.h

@@ -1,240 +0,0 @@
-/*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid
-
-    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermion.h
-
-    Copyright (C) 2020 - 2022
-
-    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
-    Author: Nils Meyer <nils.meyer@ur.de>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-/*  END LEGAL */
-
-#pragma once
-
-#include <Grid/qcd/action/fermion/WilsonCloverTypes.h>
-#include <Grid/qcd/action/fermion/WilsonCloverHelpers.h>
-
-NAMESPACE_BEGIN(Grid);
-
-// see Grid/qcd/action/fermion/WilsonCloverFermion.h for description
-//
-// Modifications done here:
-//
-// Original: clover term = 12x12 matrix per site
-//
-// But: Only two diagonal 6x6 hermitian blocks are non-zero (also true for original, verified by running)
-// Sufficient to store/transfer only the real parts of the diagonal and one triangular part
-// 2 * (6 + 15 * 2) = 72 real or 36 complex words to be stored/transfered
-//
-// Here: Above but diagonal as complex numbers, i.e., need to store/transfer
-// 2 * (6 * 2 + 15 * 2) = 84 real or 42 complex words
-//
-// Words per site and improvement compared to original (combined with the input and output spinors):
-//
-// - Original: 2*12 + 12*12 = 168 words -> 1.00 x less
-// - Minimal:  2*12 + 36    =  60 words -> 2.80 x less
-// - Here:     2*12 + 42    =  66 words -> 2.55 x less
-//
-// These improvements directly translate to wall-clock time
-//
-// Data layout:
-//
-// - diagonal and triangle part as separate lattice fields,
-//   this was faster than as 1 combined field on all tested machines
-// - diagonal: as expected
-// - triangle: store upper right triangle in row major order
-// - graphical:
-//        0  1  2  3  4
-//           5  6  7  8
-//              9 10 11 = upper right triangle indices
-//                12 13
-//                   14
-//     0
-//        1
-//           2
-//              3       = diagonal indices
-//                 4
-//                    5
-//     0
-//     1  5
-//     2  6  9          = lower left triangle indices
-//     3  7 10 12
-//     4  8 11 13 14
-//
-// Impact on total memory consumption:
-// - Original: (2 * 1 + 8 * 1/2) 12x12 matrices = 6 12x12 matrices = 864 complex words per site
-// - Here:     (2 * 1 + 4 * 1/2) diagonal parts = 4 diagonal parts =  24 complex words per site
-//           + (2 * 1 + 4 * 1/2) triangle parts = 4 triangle parts =  60 complex words per site
-//                                                                 =  84 complex words per site
-
-template<class Impl>
-class CompactWilsonCloverFermion : public WilsonFermion<Impl>,
-                                   public WilsonCloverHelpers<Impl>,
-                                   public CompactWilsonCloverHelpers<Impl> {
-  /////////////////////////////////////////////
-  // Sizes
-  /////////////////////////////////////////////
-
-public:
-
-  INHERIT_COMPACT_CLOVER_SIZES(Impl);
-
-  /////////////////////////////////////////////
-  // Type definitions
-  /////////////////////////////////////////////
-
-public:
-
-  INHERIT_IMPL_TYPES(Impl);
-  INHERIT_CLOVER_TYPES(Impl);
-  INHERIT_COMPACT_CLOVER_TYPES(Impl);
-
-  typedef WilsonFermion<Impl>              WilsonBase;
-  typedef WilsonCloverHelpers<Impl>        Helpers;
-  typedef CompactWilsonCloverHelpers<Impl> CompactHelpers;
-
-  /////////////////////////////////////////////
-  // Constructors
-  /////////////////////////////////////////////
-
-public:
-
-  CompactWilsonCloverFermion(GaugeField& _Umu,
-			    GridCartesian& Fgrid,
-			    GridRedBlackCartesian& Hgrid,
-			    const RealD _mass,
-			    const RealD _csw_r = 0.0,
-			    const RealD _csw_t = 0.0,
-			    const RealD _cF = 1.0,
-			    const WilsonAnisotropyCoefficients& clover_anisotropy = WilsonAnisotropyCoefficients(),
-			    const ImplParams& impl_p = ImplParams());
-
-  /////////////////////////////////////////////
-  // Member functions (implementing interface)
-  /////////////////////////////////////////////
-
-public:
-
-  virtual void Instantiatable() {};
-  int          ConstEE()     override { return 0; };
-  int          isTrivialEE() override { return 0; };
-
-  void Dhop(const FermionField& in, FermionField& out, int dag) override;
-
-  void DhopOE(const FermionField& in, FermionField& out, int dag) override;
-
-  void DhopEO(const FermionField& in, FermionField& out, int dag) override;
-
-  void DhopDir(const FermionField& in, FermionField& out, int dir, int disp) override;
-
-  void DhopDirAll(const FermionField& in, std::vector<FermionField>& out) /* override */;
-
-  void M(const FermionField& in, FermionField& out) override;
-
-  void Mdag(const FermionField& in, FermionField& out) override;
-
-  void Meooe(const FermionField& in, FermionField& out) override;
-
-  void MeooeDag(const FermionField& in, FermionField& out) override;
-
-  void Mooee(const FermionField& in, FermionField& out) override;
-
-  void MooeeDag(const FermionField& in, FermionField& out) override;
-
-  void MooeeInv(const FermionField& in, FermionField& out) override;
-
-  void MooeeInvDag(const FermionField& in, FermionField& out) override;
-
-  void Mdir(const FermionField& in, FermionField& out, int dir, int disp) override;
-
-  void MdirAll(const FermionField& in, std::vector<FermionField>& out) override;
-
-  void MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) override;
-
-  void MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
-
-  void MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) override;
-
-  /////////////////////////////////////////////
-  // Member functions (internals)
-  /////////////////////////////////////////////
-
-  void MooeeInternal(const FermionField&        in,
-                     FermionField&              out,
-                     const CloverDiagonalField& diagonal,
-                     const CloverTriangleField& triangle);
-
-  /////////////////////////////////////////////
-  // Helpers
-  /////////////////////////////////////////////
-
-  void ImportGauge(const GaugeField& _Umu) override;
-
-  /////////////////////////////////////////////
-  // Helpers
-  /////////////////////////////////////////////
-
-private:
-
-  template<class Field>
-  const MaskField* getCorrectMaskField(const Field &in) const {
-    if(in.Grid()->_isCheckerBoarded) {
-      if(in.Checkerboard() == Odd) {
-        return &this->BoundaryMaskOdd;
-      } else {
-        return &this->BoundaryMaskEven;
-      }
-    } else {
-      return &this->BoundaryMask;
-    }
-  }
-
-  template<class Field>
-  void ApplyBoundaryMask(Field& f) {
-    const MaskField* m = getCorrectMaskField(f); assert(m != nullptr);
-    assert(m != nullptr);
-    CompactHelpers::ApplyBoundaryMask(f, *m);
-  }
-
-  /////////////////////////////////////////////
-  // Member Data
-  /////////////////////////////////////////////
-
-public:
-
-  RealD csw_r;
-  RealD csw_t;
-  RealD cF;
-
-  bool open_boundaries;
-
-  CloverDiagonalField Diagonal,    DiagonalEven,    DiagonalOdd;
-  CloverDiagonalField DiagonalInv, DiagonalInvEven, DiagonalInvOdd;
-
-  CloverTriangleField Triangle,    TriangleEven,    TriangleOdd;
-  CloverTriangleField TriangleInv, TriangleInvEven, TriangleInvOdd;
-
-  FermionField Tmp;
-
-  MaskField BoundaryMask, BoundaryMaskEven, BoundaryMaskOdd;
-};
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/DirichletFermionOperator.h

@@ -0,0 +1,185 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/fermion/DirichletFermionOperator.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+////////////////////////////////////////////////////////////////
+// Wrap a fermion operator in Dirichlet BC's at node boundary
+////////////////////////////////////////////////////////////////
+    
+template<class Impl>
+class DirichletFermionOperator : public FermionOperator<Impl>
+{
+public:
+
+  INHERIT_IMPL_TYPES(Impl);
+
+  // Data members
+  int CommsMode;
+  Coordinate Block;
+  DirichletFilter<GaugeField> Filter;
+  FermionOperator<Impl> & FermOp;
+  
+  // Constructor / bespoke
+  DirichletFermionOperator(FermionOperator<Impl> & _FermOp, Coordinate &_Block)
+    : FermOp(_FermOp), Block(_Block), Filter(Block)
+  {
+    // Save what the comms mode should be under normal BCs
+    CommsMode = WilsonKernelsStatic::Comms;
+    assert((CommsMode == WilsonKernelsStatic::CommsAndCompute)
+         ||(CommsMode == WilsonKernelsStatic::CommsThenCompute));
+
+    // Check the block size divides local lattice
+    GridBase *grid = FermOp.GaugeGrid();
+
+    int blocks_per_rank = 1;
+    Coordinate LocalDims = grid->LocalDimensions();
+    Coordinate GlobalDims= grid->GlobalDimensions();
+    assert(Block.size()==LocalDims.size());
+
+    for(int d=0;d<LocalDims.size();d++){
+      if (Block[d]&&(Block[d]<=GlobalDims[d])){
+	int r = LocalDims[d] % Block[d];
+	assert(r == 0);
+	blocks_per_rank *= (LocalDims[d] / Block[d]);
+      }
+    }
+    // Even blocks per node required // could be relaxed but inefficient use of hardware as idle nodes in boundary operator R
+    assert( blocks_per_rank != 0);
+
+    // Possible checks that SIMD lanes are used with full occupancy???
+  };
+  virtual ~DirichletFermionOperator(void) = default;
+
+  void DirichletOn(void)   {
+    assert(WilsonKernelsStatic::Comms!= WilsonKernelsStatic::CommsDirichlet);
+    //    WilsonKernelsStatic::Comms = WilsonKernelsStatic::CommsDirichlet;
+  }
+  void DirichletOff(void)  {
+    //    assert(WilsonKernelsStatic::Comms== WilsonKernelsStatic::CommsDirichlet);
+    //    WilsonKernelsStatic::Comms = CommsMode;
+  }
+
+  // Implement the full interface
+  virtual FermionField &tmp(void) { return FermOp.tmp(); };
+
+  virtual GridBase *FermionGrid(void)         { return FermOp.FermionGrid(); }
+  virtual GridBase *FermionRedBlackGrid(void) { return FermOp.FermionRedBlackGrid(); }
+  virtual GridBase *GaugeGrid(void)           { return FermOp.GaugeGrid(); }
+  virtual GridBase *GaugeRedBlackGrid(void)   { return FermOp.GaugeRedBlackGrid(); }
+  
+  // override multiply
+  virtual void  M    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.M(in,out);    DirichletOff();  };
+  virtual void  Mdag (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Mdag(in,out); DirichletOff();  };
+
+  // half checkerboard operaions
+  virtual void   Meooe       (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Meooe(in,out);    DirichletOff(); };  
+  virtual void   MeooeDag    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MeooeDag(in,out); DirichletOff(); };
+  virtual void   Mooee       (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.Mooee(in,out);    DirichletOff(); };
+  virtual void   MooeeDag    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeDag(in,out); DirichletOff(); };
+  virtual void   MooeeInv    (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeInv(in,out); DirichletOff(); };
+  virtual void   MooeeInvDag (const FermionField &in, FermionField &out) { DirichletOn(); FermOp.MooeeInvDag(in,out); DirichletOff(); };
+
+  // non-hermitian hopping term; half cb or both
+  virtual void Dhop  (const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.Dhop(in,out,dag);    DirichletOff(); };
+  virtual void DhopOE(const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.DhopOE(in,out,dag);  DirichletOff(); };
+  virtual void DhopEO(const FermionField &in, FermionField &out,int dag) { DirichletOn(); FermOp.DhopEO(in,out,dag);  DirichletOff(); };
+  virtual void DhopDir(const FermionField &in, FermionField &out,int dir,int disp) { DirichletOn(); FermOp.DhopDir(in,out,dir,disp);  DirichletOff(); };
+
+  // force terms; five routines; default to Dhop on diagonal
+  virtual void MDeriv  (GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MDeriv(mat,U,V,dag);};
+  virtual void MoeDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MoeDeriv(mat,U,V,dag);};
+  virtual void MeoDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MeoDeriv(mat,U,V,dag);};
+  virtual void MooDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MooDeriv(mat,U,V,dag);};
+  virtual void MeeDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.MeeDeriv(mat,U,V,dag);};
+
+  virtual void DhopDeriv  (GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDeriv(mat,U,V,dag);};
+  virtual void DhopDerivEO(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDerivEO(mat,U,V,dag);};
+  virtual void DhopDerivOE(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){FermOp.DhopDerivOE(mat,U,V,dag);};
+
+  virtual void  Mdiag  (const FermionField &in, FermionField &out) { Mooee(in,out);};
+  virtual void  Mdir   (const FermionField &in, FermionField &out,int dir,int disp){FermOp.Mdir(in,out,dir,disp);};
+  virtual void  MdirAll(const FermionField &in, std::vector<FermionField> &out)    {FermOp.MdirAll(in,out);};
+
+  ///////////////////////////////////////////////
+  // Updates gauge field during HMC
+  ///////////////////////////////////////////////
+  DoubledGaugeField &GetDoubledGaugeField(void){ return FermOp.GetDoubledGaugeField(); };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return FermOp.GetDoubledGaugeFieldE(); };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return FermOp.GetDoubledGaugeFieldO(); };
+  virtual void ImportGauge(const GaugeField & _U)
+  {
+    GaugeField U = _U;
+    // Filter gauge field to apply Dirichlet
+    Filter.applyFilter(U);
+    FermOp.ImportGauge(U);
+  }
+  ///////////////////////////////////////////////
+  // Physical field import/export
+  ///////////////////////////////////////////////
+  virtual void Dminus(const FermionField &psi, FermionField &chi)    { FermOp.Dminus(psi,chi); }
+  virtual void DminusDag(const FermionField &psi, FermionField &chi) { FermOp.DminusDag(psi,chi); }
+  virtual void ImportFourDimPseudoFermion(const FermionField &input,FermionField &imported)   { FermOp.ImportFourDimPseudoFermion(input,imported);}
+  virtual void ExportFourDimPseudoFermion(const FermionField &solution,FermionField &exported){ FermOp.ExportFourDimPseudoFermion(solution,exported);}
+  virtual void ImportPhysicalFermionSource(const FermionField &input,FermionField &imported)  { FermOp.ImportPhysicalFermionSource(input,imported);}
+  virtual void ImportUnphysicalFermion(const FermionField &input,FermionField &imported)      { FermOp.ImportUnphysicalFermion(input,imported);}
+  virtual void ExportPhysicalFermionSolution(const FermionField &solution,FermionField &exported) {FermOp.ExportPhysicalFermionSolution(solution,exported);}
+  virtual void ExportPhysicalFermionSource(const FermionField &solution,FermionField &exported)   {FermOp.ExportPhysicalFermionSource(solution,exported);}
+  //////////////////////////////////////////////////////////////////////
+  // Should never be used
+  //////////////////////////////////////////////////////////////////////
+  virtual void MomentumSpacePropagator(FermionField &out,const FermionField &in,RealD _m,std::vector<double> twist) { assert(0);};
+  virtual void FreePropagator(const FermionField &in,FermionField &out,RealD mass,std::vector<Complex> boundary,std::vector<double> twist) {assert(0);}
+  virtual void FreePropagator(const FermionField &in,FermionField &out,RealD mass) { assert(0);}
+  virtual void ContractConservedCurrent(PropagatorField &q_in_1,
+					PropagatorField &q_in_2,
+					PropagatorField &q_out,
+					PropagatorField &phys_src,
+					Current curr_type,
+					unsigned int mu)
+  {assert(0);};
+  virtual void SeqConservedCurrent(PropagatorField &q_in, 
+				   PropagatorField &q_out,
+				   PropagatorField &phys_src,
+				   Current curr_type,
+				   unsigned int mu,
+				   unsigned int tmin, 
+				   unsigned int tmax,
+				   ComplexField &lattice_cmplx)
+  {assert(0);};
+      // Only reimplemented in Wilson5D 
+      // Default to just a zero correlation function
+  virtual void ContractJ5q(FermionField &q_in   ,ComplexField &J5q) { J5q=Zero(); };
+  virtual void ContractJ5q(PropagatorField &q_in,ComplexField &J5q) { J5q=Zero(); };
+  
+};
+
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/fermion/Fermion.h

@@ -53,7 +53,6 @@ NAMESPACE_CHECK(Wilson);
 #include <Grid/qcd/action/fermion/WilsonTMFermion.h>       // 4d wilson like
 NAMESPACE_CHECK(WilsonTM);
 #include <Grid/qcd/action/fermion/WilsonCloverFermion.h> // 4d wilson clover fermions
-#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h> // 4d compact wilson clover fermions
 NAMESPACE_CHECK(WilsonClover);
 #include <Grid/qcd/action/fermion/WilsonFermion5D.h>     // 5d base used by all 5d overlap types
 NAMESPACE_CHECK(Wilson5D);
@@ -102,6 +101,12 @@ NAMESPACE_CHECK(WilsonTM5);
 #include <Grid/qcd/action/fermion/PauliVillarsInverters.h>
 #include <Grid/qcd/action/fermion/Reconstruct5Dprop.h>
 #include <Grid/qcd/action/fermion/MADWF.h>
+////////////////////////////////////////////////////////////////////
+// DDHMC related 
+////////////////////////////////////////////////////////////////////
+#include <Grid/qcd/action/fermion/DirichletFermionOperator.h>
+#include <Grid/qcd/action/fermion/SchurFactoredFermionOperator.h>
+
 NAMESPACE_CHECK(DWFutils);
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -154,23 +159,6 @@ typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplR> WilsonCloverTwoInd
 typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplF> WilsonCloverTwoIndexAntiSymmetricFermionF;
 typedef WilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiSymmetricFermionD;
 
-// Compact Clover fermions
-typedef CompactWilsonCloverFermion<WilsonImplR> CompactWilsonCloverFermionR;
-typedef CompactWilsonCloverFermion<WilsonImplF> CompactWilsonCloverFermionF;
-typedef CompactWilsonCloverFermion<WilsonImplD> CompactWilsonCloverFermionD;
-
-typedef CompactWilsonCloverFermion<WilsonAdjImplR> CompactWilsonCloverAdjFermionR;
-typedef CompactWilsonCloverFermion<WilsonAdjImplF> CompactWilsonCloverAdjFermionF;
-typedef CompactWilsonCloverFermion<WilsonAdjImplD> CompactWilsonCloverAdjFermionD;
-
-typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplR> CompactWilsonCloverTwoIndexSymmetricFermionR;
-typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplF> CompactWilsonCloverTwoIndexSymmetricFermionF;
-typedef CompactWilsonCloverFermion<WilsonTwoIndexSymmetricImplD> CompactWilsonCloverTwoIndexSymmetricFermionD;
-
-typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplR> CompactWilsonCloverTwoIndexAntiSymmetricFermionR;
-typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplF> CompactWilsonCloverTwoIndexAntiSymmetricFermionF;
-typedef CompactWilsonCloverFermion<WilsonTwoIndexAntiSymmetricImplD> CompactWilsonCloverTwoIndexAntiSymmetricFermionD;
-
 // Domain Wall fermions
 typedef DomainWallFermion<WilsonImplR> DomainWallFermionR;
 typedef DomainWallFermion<WilsonImplF> DomainWallFermionF;

Grid/qcd/action/fermion/FermionCore.h

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

Grid/qcd/action/fermion/FermionOperator.h

@@ -49,8 +49,6 @@ public:
 
   virtual FermionField &tmp(void) = 0;
 
-  virtual void DirichletBlock(Coordinate & _Block) { assert(0); };
-  
   GridBase * Grid(void)   { return FermionGrid(); };   // this is all the linalg routines need to know
   GridBase * RedBlackGrid(void) { return FermionRedBlackGrid(); };
 
@@ -142,6 +140,9 @@ public:
   // Updates gauge field during HMC
   ///////////////////////////////////////////////
   virtual void ImportGauge(const GaugeField & _U)=0;
+  virtual DoubledGaugeField &GetDoubledGaugeField(void)  =0;
+  virtual DoubledGaugeField &GetDoubledGaugeFieldE(void)  =0;
+  virtual DoubledGaugeField &GetDoubledGaugeFieldO(void)  =0;
 
   //////////////////////////////////////////////////////////////////////
   // Conserved currents, either contract at sink or insert sequentially.
@@ -173,6 +174,16 @@ public:
       ///////////////////////////////////////////////
       virtual void Dminus(const FermionField &psi, FermionField &chi)    { chi=psi; }
       virtual void DminusDag(const FermionField &psi, FermionField &chi) { chi=psi; }
+
+      virtual void ImportFourDimPseudoFermion(const FermionField &input,FermionField &imported)
+      {
+	imported = input;
+      };
+      virtual void ExportFourDimPseudoFermion(const FermionField &solution,FermionField &exported)
+      {
+	exported=solution;
+      };
+
       virtual void ImportPhysicalFermionSource(const FermionField &input,FermionField &imported)
       {
 	imported = input;

Grid/qcd/action/fermion/GparityWilsonImpl.h

@@ -30,6 +30,18 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
+/*
+  Policy implementation for G-parity boundary conditions
+
+  Rather than treating the gauge field as a flavored field, the Grid implementation of G-parity treats the gauge field as a regular
+  field with complex conjugate boundary conditions. In order to ensure the second flavor interacts with the conjugate links and the first
+  with the regular links we overload the functionality of doubleStore, whose purpose is to store the gauge field and the barrel-shifted gauge field
+  to avoid communicating links when applying the Dirac operator, such that the double-stored field contains also a flavor index which maps to
+  either the link or the conjugate link. This flavored field is then used by multLink to apply the correct link to a spinor.
+
+  Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
+  mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+ */
 template <class S, class Representation = FundamentalRepresentation, class Options=CoeffReal>
 class GparityWilsonImpl : public ConjugateGaugeImpl<GaugeImplTypes<S, Representation::Dimension> > {
 public:
@@ -113,7 +125,7 @@ public:
     || ((distance== 1)&&(icoor[direction]==1))
     || ((distance==-1)&&(icoor[direction]==0));
 
-    permute_lane = permute_lane && SE->_around_the_world && St.parameters.twists[mmu]; //only if we are going around the world
+    permute_lane = permute_lane && SE->_around_the_world && St.parameters.twists[mmu] && mmu < Nd-1; //only if we are going around the world in a spatial direction
 
     //Apply the links
     int f_upper = permute_lane ? 1 : 0;
@@ -139,10 +151,10 @@ public:
     assert((distance == 1) || (distance == -1));  // nearest neighbour stencil hard code
     assert((sl == 1) || (sl == 2));
 
-    if ( SE->_around_the_world && St.parameters.twists[mmu] ) {
+    //If this site is an global boundary site, perform the G-parity flavor twist
-
+    if ( mmu < Nd-1 && SE->_around_the_world && St.parameters.twists[mmu] ) {
       if ( sl == 2 ) {
-       
+	//Only do the twist for lanes on the edge of the physical node
 	ExtractBuffer<sobj> vals(Nsimd);
 
 	extract(chi,vals);
@@ -197,6 +209,19 @@ public:
     reg = memory;
   }
 
+
+  //Poke 'poke_f0' onto flavor 0 and 'poke_f1' onto flavor 1 in direction mu of the doubled gauge field Uds
+  inline void pokeGparityDoubledGaugeField(DoubledGaugeField &Uds, const GaugeLinkField &poke_f0, const GaugeLinkField &poke_f1, const int mu){
+    autoView(poke_f0_v, poke_f0, CpuRead);
+    autoView(poke_f1_v, poke_f1, CpuRead);
+    autoView(Uds_v, Uds, CpuWrite);
+    thread_foreach(ss,poke_f0_v,{
+	Uds_v[ss](0)(mu) = poke_f0_v[ss]();
+	Uds_v[ss](1)(mu) = poke_f1_v[ss]();
+      });
+  }
+    
+
   inline void DoubleStore(GridBase *GaugeGrid,DoubledGaugeField &Uds,const GaugeField &Umu)
   {
     conformable(Uds.Grid(),GaugeGrid);
@@ -208,13 +233,18 @@ public:
    
     Lattice<iScalar<vInteger> > coor(GaugeGrid);
 
-    for(int mu=0;mu<Nd;mu++){
+    //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
+    //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs        
+    for(int mu=0;mu<Nd-1;mu++){
 
+      if( Params.twists[mu] ){
 	LatticeCoordinate(coor,mu);
+      }
           
       U     = PeekIndex<LorentzIndex>(Umu,mu);
       Uconj = conjugate(U);
      
+      // Implement the isospin rotation sign on the boundary between f=1 and f=0
       // This phase could come from a simple bc 1,1,-1,1 ..
       int neglink = GaugeGrid->GlobalDimensions()[mu]-1;
       if ( Params.twists[mu] ) { 
@@ -260,6 +290,38 @@ public:
         });
       }
     }
+
+    { //periodic / antiperiodic temporal BCs
+      int mu = Nd-1;
+      int L   = GaugeGrid->GlobalDimensions()[mu];
+      int Lmu = L - 1;
+
+      LatticeCoordinate(coor, mu);
+
+      U = PeekIndex<LorentzIndex>(Umu, mu); //Get t-directed links
+      
+      GaugeLinkField *Upoke = &U;
+
+      if(Params.twists[mu]){ //antiperiodic
+	Utmp =  where(coor == Lmu, -U, U);
+	Upoke = &Utmp;
+      }
+    
+      Uconj = conjugate(*Upoke); //second flavor interacts with conjugate links      
+      pokeGparityDoubledGaugeField(Uds, *Upoke, Uconj, mu);
+
+      //Get the barrel-shifted field
+      Utmp = adj(Cshift(U, mu, -1)); //is a forward shift!
+      Upoke = &Utmp;
+
+      if(Params.twists[mu]){
+	U = where(coor == 0, -Utmp, Utmp);  //boundary phase
+	Upoke = &U;
+      }
+      
+      Uconj = conjugate(*Upoke);
+      pokeGparityDoubledGaugeField(Uds, *Upoke, Uconj, mu + 4);
+    }
   }
       
   inline void InsertForce4D(GaugeField &mat, FermionField &Btilde, FermionField &A, int mu) {
@@ -300,27 +362,47 @@ public:
   }
  
   inline void InsertForce5D(GaugeField &mat, FermionField &Btilde, FermionField &Atilde, int mu) {
+    int Ls=Btilde.Grid()->_fdimensions[0];
     
-    int Ls = Btilde.Grid()->_fdimensions[0];
-        
-    GaugeLinkField tmp(mat.Grid());
-    tmp = Zero();
     {
-      autoView( tmp_v , tmp, CpuWrite);
+      GridBase *GaugeGrid = mat.Grid();
-      autoView( Atilde_v , Atilde, CpuRead);
+      Lattice<iScalar<vInteger> > coor(GaugeGrid);
-      autoView( Btilde_v , Btilde, CpuRead);
+
-      thread_for(ss,tmp.Grid()->oSites(),{
+      if( Params.twists[mu] ){
-	  for (int s = 0; s < Ls; s++) {
+	LatticeCoordinate(coor,mu);
-	    int sF = s + Ls * ss;
-	    auto ttmp = traceIndex<SpinIndex>(outerProduct(Btilde_v[sF], Atilde_v[sF]));
-	    tmp_v[ss]() = tmp_v[ss]() + ttmp(0, 0) + conjugate(ttmp(1, 1));
       }
+
+      autoView( mat_v , mat, AcceleratorWrite);
+      autoView( Btilde_v , Btilde, AcceleratorRead);
+      autoView( Atilde_v , Atilde, AcceleratorRead);
+      accelerator_for(sss,mat.Grid()->oSites(), FermionField::vector_type::Nsimd(),{	  
+  	  int sU=sss;
+  	  typedef decltype(coalescedRead(mat_v[sU](mu)() )) ColorMatrixType;
+  	  ColorMatrixType sum;
+  	  zeroit(sum);
+  	  for(int s=0;s<Ls;s++){
+  	    int sF = s+Ls*sU;
+  	    for(int spn=0;spn<Ns;spn++){ //sum over spin
+	      //Flavor 0
+  	      auto bb = coalescedRead(Btilde_v[sF](0)(spn) ); //color vector
+  	      auto aa = coalescedRead(Atilde_v[sF](0)(spn) );
+  	      sum = sum + outerProduct(bb,aa);
+
+  	      //Flavor 1
+  	      bb = coalescedRead(Btilde_v[sF](1)(spn) );
+  	      aa = coalescedRead(Atilde_v[sF](1)(spn) );
+  	      sum = sum + conjugate(outerProduct(bb,aa));
+  	    }
+  	  }	    
+  	  coalescedWrite(mat_v[sU](mu)(), sum);
   	});
     }
-    PokeIndex<LorentzIndex>(mat, tmp, mu);
-    return;
   }
 
+
+  
+
+  
 };
 
 typedef GparityWilsonImpl<vComplex , FundamentalRepresentation,CoeffReal> GparityWilsonImplR;  // Real.. whichever prec

Grid/qcd/action/fermion/ImprovedStaggeredFermion.h

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

Grid/qcd/action/fermion/ImprovedStaggeredFermion5D.h

@@ -167,6 +167,9 @@ public:
   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);

Grid/qcd/action/fermion/NaiveStaggeredFermion.h

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

Grid/qcd/action/fermion/SchurFactoredFermionOperator.h

@@ -0,0 +1,534 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/fermion/SchurFactoredFermionOperator.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+#include <Grid/qcd/utils/MixedPrecisionOperatorFunction.h>
+#include <Grid/qcd/action/domains/Domains.h>
+
+NAMESPACE_BEGIN(Grid);
+
+  ////////////////////////////////////////////////////////
+  // Some explanation of class structure for domain decomposition:
+  //
+  // Need a dirichlet operator for two flavour determinant - acts on both Omega and OmegaBar.
+  //
+  // Possible gain if the global sums and CG are run independently?? Could measure this.
+  //
+  // Types of operations
+  //
+  // 1) assemble local det dOmega det dOmegaBar pseudofermion
+  //
+  // - DirichletFermionOperator - can either do a global solve, or independent/per cell coefficients.
+  //
+  // 2) assemble dOmegaInverse and dOmegaBarInverse in R
+  //
+  // - DirichletFermionOperator - can also be used to 
+  //                                       - need two or more cells per node. Options
+  //                                       - a) solve one cell at a time, no new code, CopyRegion and reduced /split Grids
+  //                                       - b) solve multiple cells in parallel. predicated dslash implementation
+  //
+  //                                       - b) has more parallelism, experience with block solver suggest might not be aalgorithmically inefficient
+  //                                         a) has more cache friendly and easier code.
+  //                                         b) is easy to implement in a "trial" or inefficient code with projection.
+  //
+  // 3)  Additional functionality for domain operations
+  //
+  // - SchurFactoredFermionOperator  - Need a DDHMC utility - whether used in two flavour or one flavour 
+  //
+  // - dBoundary - needs non-dirichlet operator
+  // - Contains one Dirichlet Op, and one non-Dirichlet op. Implements dBoundary etc...
+  // - The Dirichlet ops can be passed to dOmega(Bar) solvers etc...
+  //
+  ////////////////////////////////////////////////////////
+
+
+template<class ImplD,class ImplF>
+class SchurFactoredFermionOperator : public ImplD
+{
+  INHERIT_IMPL_TYPES(ImplD);
+  
+  typedef typename ImplF::FermionField FermionFieldF;
+  typedef typename ImplD::FermionField FermionFieldD;
+
+  typedef SchurDiagMooeeOperator<FermionOperator<ImplD>,FermionFieldD> LinearOperatorD;
+  typedef SchurDiagMooeeOperator<FermionOperator<ImplF>,FermionFieldF> LinearOperatorF;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<ImplD>,FermionFieldD> LinearOperatorDagD;
+  typedef SchurDiagMooeeDagOperator<FermionOperator<ImplF>,FermionFieldF> LinearOperatorDagF;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionOperator<ImplD>,
+							  FermionOperator<ImplF>,
+							  LinearOperatorD,
+							  LinearOperatorF> MxPCG;
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionOperator<ImplD>,
+							  FermionOperator<ImplF>,
+							  LinearOperatorDagD,
+							  LinearOperatorDagF> MxDagPCG;
+public:
+
+  GridBase *FermionGrid(void) { return PeriodicFermOpD.FermionGrid(); };
+  GridBase *GaugeGrid(void)   { return PeriodicFermOpD.GaugeGrid(); };
+  
+  FermionOperator<ImplD> & DirichletFermOpD;
+  FermionOperator<ImplF> & DirichletFermOpF;
+  FermionOperator<ImplD> & PeriodicFermOpD; 
+  FermionOperator<ImplF> & PeriodicFermOpF; 
+
+  LinearOperatorD DirichletLinOpD;
+  LinearOperatorF DirichletLinOpF;
+  LinearOperatorD PeriodicLinOpD;
+  LinearOperatorF PeriodicLinOpF;
+
+  LinearOperatorDagD DirichletLinOpDagD;
+  LinearOperatorDagF DirichletLinOpDagF;
+  LinearOperatorDagD PeriodicLinOpDagD;
+  LinearOperatorDagF PeriodicLinOpDagF;
+
+  // Can tinker with these in the pseudofermion for force vs. action solves
+  Integer maxinnerit;
+  Integer maxouterit;
+  RealD tol;
+  RealD tolinner;
+  
+  Coordinate Block;
+
+  DomainDecomposition Domains;
+
+  SchurFactoredFermionOperator(FermionOperator<ImplD>  & _PeriodicFermOpD,
+			       FermionOperator<ImplF>  & _PeriodicFermOpF,
+			       FermionOperator<ImplD>  & _DirichletFermOpD,
+			       FermionOperator<ImplF>  & _DirichletFermOpF,
+			       Coordinate &_Block)
+    : Block(_Block), Domains(Block),
+
+      PeriodicFermOpD(_PeriodicFermOpD),
+      PeriodicFermOpF(_PeriodicFermOpF),
+      DirichletFermOpD(_DirichletFermOpD),
+      DirichletFermOpF(_DirichletFermOpF),
+      DirichletLinOpD(DirichletFermOpD),
+      DirichletLinOpF(DirichletFermOpF),
+      PeriodicLinOpD(PeriodicFermOpD),
+      PeriodicLinOpF(PeriodicFermOpF),
+      DirichletLinOpDagD(DirichletFermOpD),
+      DirichletLinOpDagF(DirichletFermOpF),
+      PeriodicLinOpDagD(PeriodicFermOpD),
+      PeriodicLinOpDagF(PeriodicFermOpF)
+  {
+    tol=1.0e-10;
+    tolinner=1.0e-6;
+    maxinnerit=1000;
+    maxouterit=10;
+    assert(PeriodicFermOpD.FermionGrid() == DirichletFermOpD.FermionGrid());
+    assert(PeriodicFermOpF.FermionGrid() == DirichletFermOpF.FermionGrid());
+  };
+
+  enum Domain { Omega=0, OmegaBar=1 };
+
+  void ImportGauge(const GaugeField &Umu)
+  {
+    // Single precision will update in the mixed prec CG
+    PeriodicFermOpD.ImportGauge(Umu);
+    GaugeField dUmu(Umu.Grid());
+    dUmu=Umu;
+    //    DirchletBCs(dUmu);
+    DirichletFilter<GaugeField> Filter(Block);
+    Filter.applyFilter(dUmu);
+    DirichletFermOpD.ImportGauge(dUmu);
+  }
+
+/*
+  void ProjectBoundaryBothDomains (FermionField &f,int sgn)
+  {
+    assert((sgn==1)||(sgn==-1));
+    Real rsgn = sgn;
+
+    Gamma::Algebra Gmu [] = {
+      Gamma::Algebra::GammaX,
+      Gamma::Algebra::GammaY,
+      Gamma::Algebra::GammaZ,
+      Gamma::Algebra::GammaT
+    };
+
+    GridBase *grid = f.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid); one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger nface(grid); nface=Zero();
+    
+    FermionField projected(grid); projected=Zero();
+    FermionField sp_proj  (grid);
+
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+    Coordinate Global=grid->GlobalDimensions();
+
+    for(int mu=0;mu<Nd;mu++){
+
+      if ( Block[mu] <= Global[mu+isDWF] ) {
+	// need to worry about DWF 5th dim first
+	LatticeCoordinate(coor,mu+isDWF); 
+      
+	face = where(mod(coor,Block[mu]) == Integer(0),one,zero );
+	nface = nface + face;
+
+	Gamma G(Gmu[mu]);
+	// Lower face receives (1-gamma)/2 in normal forward hopping term
+	sp_proj  = 0.5*(f-G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+	//projected= where(face,f,projected);
+      
+	face = where(mod(coor,Block[mu]) == Integer(Block[mu]-1) ,one,zero );
+	nface = nface + face;
+
+	// Upper face receives (1+gamma)/2 in normal backward hopping term
+	sp_proj = 0.5*(f+G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+	//projected= where(face,f,projected);
+      }
+      
+    }
+    // Initial Zero() where nface==0.
+    // Keep the spin projected faces where nface==1
+    // Full spinor where nface>=2
+    projected = where(nface>Integer(1),f,projected);
+    f=projected;
+  }
+*/
+  void ProjectBoundaryBothDomains (FermionField &f,int sgn)
+  {
+    assert((sgn==1)||(sgn==-1));
+    Real rsgn = sgn;
+
+    Gamma::Algebra Gmu [] = {
+      Gamma::Algebra::GammaX,
+      Gamma::Algebra::GammaY,
+      Gamma::Algebra::GammaZ,
+      Gamma::Algebra::GammaT
+    };
+
+    GridBase *grid = f.Grid();
+    LatticeInteger  coor(grid);
+    LatticeInteger  face(grid);
+    LatticeInteger  one(grid);   one = 1;
+    LatticeInteger  zero(grid); zero = 0;
+    LatticeInteger  omega(grid);
+    LatticeInteger  omegabar(grid);
+    LatticeInteger  tmp(grid);
+
+    omega=one;    Domains.ProjectDomain(omega,0);
+    omegabar=one; Domains.ProjectDomain(omegabar,1);
+    
+    LatticeInteger nface(grid); nface=Zero();
+    
+    FermionField projected(grid); projected=Zero();
+    FermionField sp_proj  (grid);
+
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+    Coordinate Global=grid->GlobalDimensions();
+
+    for(int mmu=0;mmu<Nd;mmu++){
+      Gamma G(Gmu[mmu]);
+
+      // need to worry about DWF 5th dim first
+      int mu = mmu+isDWF;
+      if ( Block[mmu] && (Block[mmu] <= Global[mu]) ) {
+
+	// Lower face receives (1-gamma)/2 in normal forward hopping term
+ 	tmp = Cshift(omegabar,mu,-1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,-1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	nface = nface + face;
+
+	sp_proj  = 0.5*(f-G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+
+	// Upper face receives (1+gamma)/2 in normal backward hopping term
+ 	tmp = Cshift(omegabar,mu,1);
+	tmp = tmp + omega;
+	face = where(tmp == Integer(2),one,zero );
+
+ 	tmp = Cshift(omega,mu,1);
+	tmp = tmp + omegabar;
+	face = where(tmp == Integer(2),one,face );
+
+	nface = nface + face;
+
+	sp_proj = 0.5*(f+G*f*rsgn);
+	projected= where(face,sp_proj,projected);
+      }
+      
+    }
+    // Initial Zero() where nface==0.
+    // Keep the spin projected faces where nface==1
+    // Full spinor where nface>=2
+    projected = where(nface>Integer(1),f,projected);
+    f=projected;
+  }
+
+  void ProjectDomain(FermionField &f,int domain)
+  {
+/*
+    GridBase *grid = f.Grid();
+    int dims = grid->Nd();
+    int isDWF= (dims==Nd+1);
+    assert((dims==Nd)||(dims==Nd+1));
+
+    FermionField zz(grid); zz=Zero();
+    LatticeInteger coor(grid);
+    LatticeInteger domaincb(grid); domaincb=Zero();
+    for(int d=0;d<Nd;d++){
+      LatticeCoordinate(coor,d+isDWF);
+      domaincb = domaincb + div(coor,Block[d]);
+    }
+    f = where(mod(domaincb,2)==Integer(domain),f,zz);
+*/
+    Domains.ProjectDomain(f,domain);
+
+  };
+  void ProjectOmegaBar   (FermionField &f) {ProjectDomain(f,OmegaBar);}
+  void ProjectOmega      (FermionField &f) {ProjectDomain(f,Omega);}
+  // See my notes(!).
+  // Notation: Following Luscher, we introduce projectors $\hPdb$ with both spinor and space structure
+  // projecting all spinor elements in $\Omega$ connected by $\Ddb$ to $\bar{\Omega}$,
+  void ProjectBoundaryBar(FermionField &f)
+  {
+    ProjectBoundaryBothDomains(f,1);
+    ProjectOmega(f);
+  }
+  // and $\hPd$ projecting all spinor elements in $\bar{\Omega}$ connected by $\Dd$ to $\Omega$.
+  void ProjectBoundary   (FermionField &f)
+  {
+    ProjectBoundaryBothDomains(f,1);
+    ProjectOmegaBar(f);
+    //    DumpSliceNorm("ProjectBoundary",f,f.Grid()->Nd()-1);
+  };
+
+  void dBoundary    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    PeriodicFermOpD.M(tmp,out);
+    ProjectOmega(out);
+  };
+  void dBoundaryDag (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    PeriodicFermOpD.Mdag(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dBoundaryBar (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    PeriodicFermOpD.M(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dBoundaryBarDag (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    PeriodicFermOpD.Mdag(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmega       (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    DirichletFermOpD.M(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBar    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    DirichletFermOpD.M(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaDag       (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    DirichletFermOpD.Mdag(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBarDag    (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    DirichletFermOpD.Mdag(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaInv   (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    dOmegaInvAndOmegaBarInv(tmp,out); // Inefficient warning
+    ProjectOmega(out);
+  };
+  void dOmegaBarInv(FermionField &in,FermionField &out)
+  {    
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    dOmegaInvAndOmegaBarInv(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaDagInv   (FermionField &in,FermionField &out)
+  {
+    FermionField tmp(in);
+    ProjectOmega(tmp);
+    dOmegaDagInvAndOmegaBarDagInv(tmp,out);
+    ProjectOmega(out);
+  };
+  void dOmegaBarDagInv(FermionField &in,FermionField &out)
+  {    
+    FermionField tmp(in);
+    ProjectOmegaBar(tmp);
+    dOmegaDagInvAndOmegaBarDagInv(tmp,out);
+    ProjectOmegaBar(out);
+  };
+  void dOmegaInvAndOmegaBarInv(FermionField &in,FermionField &out)
+  {
+    MxPCG OmegaSolver(tol,
+		      tolinner,
+		      maxinnerit,
+		      maxouterit,
+		      DirichletFermOpF.FermionRedBlackGrid(),
+		      DirichletFermOpF,
+		      DirichletFermOpD,
+		      DirichletLinOpF,
+		      DirichletLinOpD);
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(OmegaSolver);
+    PrecSolve(DirichletFermOpD,in,out);
+  };
+  void dOmegaDagInvAndOmegaBarDagInv(FermionField &in,FermionField &out)
+  {
+    MxDagPCG OmegaDagSolver(tol,
+			    tolinner,
+			    maxinnerit,
+			    maxouterit,
+			    DirichletFermOpF.FermionRedBlackGrid(),
+			    DirichletFermOpF,
+			    DirichletFermOpD,
+			    DirichletLinOpDagF,
+			    DirichletLinOpDagD);
+    SchurRedBlackDiagMooeeDagSolve<FermionField> PrecSolve(OmegaDagSolver);
+    PrecSolve(DirichletFermOpD,in,out);
+  };
+
+  // Rdag = Pdbar - DdbarDag DomegabarDagInv  DdDag DomegaDagInv Pdbar 
+  void RDag(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    FermionField tmp2(PeriodicFermOpD.FermionGrid());
+    out = in;
+    ProjectBoundaryBar(out);
+    dOmegaDagInv(out,tmp1);   
+    dBoundaryDag(tmp1,tmp2);   
+    dOmegaBarDagInv(tmp2,tmp1);
+    dBoundaryBarDag(tmp1,tmp2); 
+    out = out - tmp2;
+  };
+
+  // R = Pdbar - Pdbar DomegaInv Dd DomegabarInv Ddbar
+  void R(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    FermionField tmp2(PeriodicFermOpD.FermionGrid());
+    out = in;
+    ProjectBoundaryBar(out);
+    dBoundaryBar(out,tmp1); 
+    dOmegaBarInv(tmp1,tmp2);
+    dBoundary(tmp2,tmp1);   
+    dOmegaInv(tmp1,tmp2);   
+    out = in - tmp2 ;       
+    ProjectBoundaryBar(out);
+    //    DumpSliceNorm("R",out,out.Grid()->Nd()-1);
+  };
+  
+  // R = Pdbar - Pdbar Dinv Ddbar 
+  void RInv(FermionField &in,FermionField &out)
+  {
+    FermionField tmp1(PeriodicFermOpD.FermionGrid());
+    dBoundaryBar(in,out);
+    Dinverse(out,tmp1);  
+    out =in -tmp1; 
+    ProjectBoundaryBar(out);
+  };
+  // R = Pdbar - DdbarDag DinvDag Pdbar 
+  void RDagInv(FermionField &in,FermionField &out)
+  {
+    FermionField tmp(PeriodicFermOpD.FermionGrid());
+    FermionField Pin(PeriodicFermOpD.FermionGrid());
+    Pin = in; ProjectBoundaryBar(Pin);
+    DinverseDag(Pin,out);  
+    dBoundaryBarDag(out,tmp);
+    out =Pin -tmp; 
+  };
+  // Non-dirichlet inverter using red-black preconditioning
+  void Dinverse(FermionField &in,FermionField &out)
+  {
+    MxPCG DSolver(tol,
+		  tolinner,
+		  maxinnerit,
+		  maxouterit,
+		  PeriodicFermOpF.FermionRedBlackGrid(),
+		  PeriodicFermOpF,
+		  PeriodicFermOpD,
+		  PeriodicLinOpF,
+		  PeriodicLinOpD);
+    SchurRedBlackDiagMooeeSolve<FermionField> Solve(DSolver);
+    Solve(PeriodicFermOpD,in,out);
+  }
+  void DinverseDag(FermionField &in,FermionField &out)
+  {
+    MxDagPCG DdagSolver(tol,
+			tolinner,
+			maxinnerit,
+			maxouterit,
+			PeriodicFermOpF.FermionRedBlackGrid(),
+			PeriodicFermOpF,
+			PeriodicFermOpD,
+			PeriodicLinOpDagF,
+			PeriodicLinOpDagD);
+    SchurRedBlackDiagMooeeDagSolve<FermionField> Solve(DdagSolver);
+    Solve(PeriodicFermOpD,in,out);
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/fermion/WilsonCloverFermion.h

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

Grid/qcd/action/fermion/WilsonCloverHelpers.h

@@ -1,761 +0,0 @@
-/*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid
-
-    Source file: ./lib/qcd/action/fermion/WilsonCloverHelpers.h
-
-    Copyright (C) 2021 - 2022
-
-    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-*************************************************************************************/
-/*  END LEGAL */
-
-#pragma once
-
-// Helper routines that implement common clover functionality
-
-NAMESPACE_BEGIN(Grid);
-
-template<class Impl> class WilsonCloverHelpers {
-public:
-
-  INHERIT_IMPL_TYPES(Impl);
-  INHERIT_CLOVER_TYPES(Impl);
-
-  // Computing C_{\mu \nu}(x) as in Eq.(B.39) in Zbigniew Sroczynski's PhD thesis
-  static GaugeLinkField Cmunu(std::vector<GaugeLinkField> &U, GaugeLinkField &lambda, int mu, int nu)
-  {
-    conformable(lambda.Grid(), U[0].Grid());
-    GaugeLinkField out(lambda.Grid()), tmp(lambda.Grid());
-    // insertion in upper staple
-    // please check redundancy of shift operations
-
-    // C1+
-    tmp = lambda * U[nu];
-    out = Impl::ShiftStaple(Impl::CovShiftForward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C2+
-    tmp = U[mu] * Impl::ShiftStaple(adj(lambda), mu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(tmp, mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu);
-
-    // C3+
-    tmp = U[nu] * Impl::ShiftStaple(adj(lambda), nu);
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(tmp, nu))), mu);
-
-    // C4+
-    out += Impl::ShiftStaple(Impl::CovShiftForward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, Impl::CovShiftIdentityBackward(U[nu], nu))), mu) * lambda;
-
-    // insertion in lower staple
-    // C1-
-    out -= Impl::ShiftStaple(lambda, mu) * Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C2-
-    tmp = adj(lambda) * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(tmp, nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu);
-
-    // C3-
-    tmp = lambda * U[nu];
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, tmp)), mu);
-
-    // C4-
-    out -= Impl::ShiftStaple(Impl::CovShiftBackward(U[nu], nu, Impl::CovShiftBackward(U[mu], mu, U[nu])), mu) * lambda;
-
-    return out;
-  }
-
-  static CloverField fillCloverYZ(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-    T = Zero();
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
-    });
-
-    return T;
-  }
-
-  static CloverField fillCloverXZ(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-    T = Zero();
-    
-    autoView(T_v, T,AcceleratorWrite);
-    autoView(F_v, F,AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-F_v[i]()()));
-      coalescedWrite(T_v[i]()(1, 0), coalescedRead(F_v[i]()()));
-      coalescedWrite(T_v[i]()(2, 3), coalescedRead(-F_v[i]()()));
-      coalescedWrite(T_v[i]()(3, 2), coalescedRead(F_v[i]()()));
-    });
-
-    return T;
-  }
-
-  static CloverField fillCloverXY(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-    T = Zero();
-
-    autoView(T_v,T,AcceleratorWrite);
-    autoView(F_v,F,AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
-    });
-
-    return T;
-  }
-
-  static CloverField fillCloverXT(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-    T = Zero();
-
-    autoView( T_v , T, AcceleratorWrite);
-    autoView( F_v , F, AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 1), coalescedRead(timesI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(1, 0), coalescedRead(timesI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(2, 3), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(3, 2), coalescedRead(timesMinusI(F_v[i]()())));
-    });
-
-    return T;
-  }
-
-  static CloverField fillCloverYT(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-    T = Zero();
-    
-    autoView( T_v ,T,AcceleratorWrite);
-    autoView( F_v ,F,AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 1), coalescedRead(-(F_v[i]()())));
-      coalescedWrite(T_v[i]()(1, 0), coalescedRead((F_v[i]()())));
-      coalescedWrite(T_v[i]()(2, 3), coalescedRead((F_v[i]()())));
-      coalescedWrite(T_v[i]()(3, 2), coalescedRead(-(F_v[i]()())));
-    });
-
-    return T;
-  }
-
-  static CloverField fillCloverZT(const GaugeLinkField &F)
-  {
-    CloverField T(F.Grid());
-
-    T = Zero();
-
-    autoView( T_v , T,AcceleratorWrite);
-    autoView( F_v , F,AcceleratorRead);
-    accelerator_for(i, T.Grid()->oSites(),CloverField::vector_type::Nsimd(),
-    {
-      coalescedWrite(T_v[i]()(0, 0), coalescedRead(timesI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(1, 1), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(2, 2), coalescedRead(timesMinusI(F_v[i]()())));
-      coalescedWrite(T_v[i]()(3, 3), coalescedRead(timesI(F_v[i]()())));
-    });
-
-    return T;
-  }
-
-  template<class _Spinor>
-  static accelerator_inline void multClover(_Spinor& phi, const SiteClover& C, const _Spinor& chi) {
-    auto CC = coalescedRead(C);
-    mult(&phi, &CC, &chi);
-  }
-
-  template<class _SpinorField>
-  inline void multCloverField(_SpinorField& out, const CloverField& C, const _SpinorField& phi) {
-    const int Nsimd = SiteSpinor::Nsimd();
-    autoView(out_v, out, AcceleratorWrite);
-    autoView(phi_v, phi, AcceleratorRead);
-    autoView(C_v,   C,   AcceleratorRead);
-    typedef decltype(coalescedRead(out_v[0])) calcSpinor;
-    accelerator_for(sss,out.Grid()->oSites(),Nsimd,{
-      calcSpinor tmp;
-      multClover(tmp,C_v[sss],phi_v(sss));
-      coalescedWrite(out_v[sss],tmp);
-    });
-  }
-};
-
-
-template<class Impl> class CompactWilsonCloverHelpers {
-public:
-
-  INHERIT_COMPACT_CLOVER_SIZES(Impl);
-
-  INHERIT_IMPL_TYPES(Impl);
-  INHERIT_CLOVER_TYPES(Impl);
-  INHERIT_COMPACT_CLOVER_TYPES(Impl);
-
-  #if 0
-  static accelerator_inline typename SiteCloverTriangle::vector_type triangle_elem(const SiteCloverTriangle& triangle, int block, int i, int j) {
-    assert(i != j);
-    if(i < j) {
-      return triangle()(block)(triangle_index(i, j));
-    } else { // i > j
-      return conjugate(triangle()(block)(triangle_index(i, j)));
-    }
-  }
-  #else
-  template<typename vobj>
-  static accelerator_inline vobj triangle_elem(const iImplCloverTriangle<vobj>& triangle, int block, int i, int j) {
-    assert(i != j);
-    if(i < j) {
-      return triangle()(block)(triangle_index(i, j));
-    } else { // i > j
-      return conjugate(triangle()(block)(triangle_index(i, j)));
-    }
-  }
-  #endif
-
-  static accelerator_inline int triangle_index(int i, int j) {
-    if(i == j)
-      return 0;
-    else if(i < j)
-      return Nred * (Nred - 1) / 2 - (Nred - i) * (Nred - i - 1) / 2 + j - i - 1;
-    else // i > j
-      return Nred * (Nred - 1) / 2 - (Nred - j) * (Nred - j - 1) / 2 + i - j - 1;
-  }
-
-  static void MooeeKernel_gpu(int                        Nsite,
-                              int                        Ls,
-                              const FermionField&        in,
-                              FermionField&              out,
-                              const CloverDiagonalField& diagonal,
-                              const CloverTriangleField& triangle) {
-    autoView(diagonal_v, diagonal, AcceleratorRead);
-    autoView(triangle_v, triangle, AcceleratorRead);
-    autoView(in_v,       in,       AcceleratorRead);
-    autoView(out_v,      out,      AcceleratorWrite);
-
-    typedef decltype(coalescedRead(out_v[0])) CalcSpinor;
-
-    const uint64_t NN = Nsite * Ls;
-
-    accelerator_for(ss, NN, Simd::Nsimd(), {
-      int sF = ss;
-      int sU = ss/Ls;
-      CalcSpinor res;
-      CalcSpinor in_t = in_v(sF);
-      auto diagonal_t = diagonal_v(sU);
-      auto triangle_t = triangle_v(sU);
-      for(int block=0; block<Nhs; block++) {
-        int s_start = block*Nhs;
-        for(int i=0; i<Nred; i++) {
-          int si = s_start + i/Nc, ci = i%Nc;
-          res()(si)(ci) = diagonal_t()(block)(i) * in_t()(si)(ci);
-          for(int j=0; j<Nred; j++) {
-            if (j == i) continue;
-            int sj = s_start + j/Nc, cj = j%Nc;
-            res()(si)(ci) = res()(si)(ci) + triangle_elem(triangle_t, block, i, j) * in_t()(sj)(cj);
-          };
-        };
-      };
-      coalescedWrite(out_v[sF], res);
-    });
-  }
-
-  static void MooeeKernel_cpu(int                        Nsite,
-                              int                        Ls,
-                              const FermionField&        in,
-                              FermionField&              out,
-                              const CloverDiagonalField& diagonal,
-                              const CloverTriangleField& triangle) {
-    autoView(diagonal_v, diagonal, CpuRead);
-    autoView(triangle_v, triangle, CpuRead);
-    autoView(in_v,       in,       CpuRead);
-    autoView(out_v,      out,      CpuWrite);
-
-    typedef SiteSpinor CalcSpinor;
-
-#if defined(A64FX) || defined(A64FXFIXEDSIZE)
-#define PREFETCH_CLOVER(BASE) {                                     \
-    uint64_t base;                                                  \
-    int pf_dist_L1 = 1;                                             \
-    int pf_dist_L2 = -5; /* -> penalty -> disable */                \
-                                                                    \
-    if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {           \
-      base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);               \
-      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL1STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL1STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL1STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL1STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL1STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL1STRM); \
-    }                                                               \
-                                                                    \
-    if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {           \
-      base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);               \
-      svprfd(svptrue_b64(), (int64_t*)(base +    0), SV_PLDL2STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  256), SV_PLDL2STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  512), SV_PLDL2STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base +  768), SV_PLDL2STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base + 1024), SV_PLDL2STRM); \
-      svprfd(svptrue_b64(), (int64_t*)(base + 1280), SV_PLDL2STRM); \
-    }                                                               \
-  }
-// TODO: Implement/generalize this for other architectures
-// I played around a bit on KNL (see below) but didn't bring anything
-// #elif defined(AVX512)
-// #define PREFETCH_CLOVER(BASE) {                              \
-//     uint64_t base;                                           \
-//     int pf_dist_L1 = 1;                                      \
-//     int pf_dist_L2 = +4;                                     \
-//                                                              \
-//     if ((pf_dist_L1 >= 0) && (sU + pf_dist_L1 < Nsite)) {    \
-//       base = (uint64_t)&diag_t()(pf_dist_L1+BASE)(0);        \
-//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T0); \
-//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T0); \
-//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T0); \
-//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T0); \
-//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T0); \
-//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T0); \
-//     }                                                        \
-//                                                              \
-//     if ((pf_dist_L2 >= 0) && (sU + pf_dist_L2 < Nsite)) {    \
-//       base = (uint64_t)&diag_t()(pf_dist_L2+BASE)(0);        \
-//       _mm_prefetch((const char*)(base +    0), _MM_HINT_T1); \
-//       _mm_prefetch((const char*)(base +   64), _MM_HINT_T1); \
-//       _mm_prefetch((const char*)(base +  128), _MM_HINT_T1); \
-//       _mm_prefetch((const char*)(base +  192), _MM_HINT_T1); \
-//       _mm_prefetch((const char*)(base +  256), _MM_HINT_T1); \
-//       _mm_prefetch((const char*)(base +  320), _MM_HINT_T1); \
-//     }                                                        \
-//   }
-#else
-#define PREFETCH_CLOVER(BASE)
-#endif
-
-    const uint64_t NN = Nsite * Ls;
-
-    thread_for(ss, NN, {
-      int sF = ss;
-      int sU = ss/Ls;
-      CalcSpinor res;
-      CalcSpinor in_t = in_v[sF];
-      auto diag_t     = diagonal_v[sU]; // "diag" instead of "diagonal" here to make code below easier to read
-      auto triangle_t = triangle_v[sU];
-
-      // upper half
-      PREFETCH_CLOVER(0);
-
-      auto in_cc_0_0 = conjugate(in_t()(0)(0)); // Nils: reduces number
-      auto in_cc_0_1 = conjugate(in_t()(0)(1)); // of conjugates from
-      auto in_cc_0_2 = conjugate(in_t()(0)(2)); // 30 to 20
-      auto in_cc_1_0 = conjugate(in_t()(1)(0));
-      auto in_cc_1_1 = conjugate(in_t()(1)(1));
-
-      res()(0)(0) =               diag_t()(0)( 0) * in_t()(0)(0)
-                  +           triangle_t()(0)( 0) * in_t()(0)(1)
-                  +           triangle_t()(0)( 1) * in_t()(0)(2)
-                  +           triangle_t()(0)( 2) * in_t()(1)(0)
-                  +           triangle_t()(0)( 3) * in_t()(1)(1)
-                  +           triangle_t()(0)( 4) * in_t()(1)(2);
-
-      res()(0)(1) =           triangle_t()(0)( 0) * in_cc_0_0;
-      res()(0)(1) =               diag_t()(0)( 1) * in_t()(0)(1)
-                  +           triangle_t()(0)( 5) * in_t()(0)(2)
-                  +           triangle_t()(0)( 6) * in_t()(1)(0)
-                  +           triangle_t()(0)( 7) * in_t()(1)(1)
-                  +           triangle_t()(0)( 8) * in_t()(1)(2)
-                  + conjugate(       res()(0)( 1));
-
-      res()(0)(2) =           triangle_t()(0)( 1) * in_cc_0_0
-                  +           triangle_t()(0)( 5) * in_cc_0_1;
-      res()(0)(2) =               diag_t()(0)( 2) * in_t()(0)(2)
-                  +           triangle_t()(0)( 9) * in_t()(1)(0)
-                  +           triangle_t()(0)(10) * in_t()(1)(1)
-                  +           triangle_t()(0)(11) * in_t()(1)(2)
-                  + conjugate(       res()(0)( 2));
-
-      res()(1)(0) =           triangle_t()(0)( 2) * in_cc_0_0
-                  +           triangle_t()(0)( 6) * in_cc_0_1
-                  +           triangle_t()(0)( 9) * in_cc_0_2;
-      res()(1)(0) =               diag_t()(0)( 3) * in_t()(1)(0)
-                  +           triangle_t()(0)(12) * in_t()(1)(1)
-                  +           triangle_t()(0)(13) * in_t()(1)(2)
-                  + conjugate(       res()(1)( 0));
-
-      res()(1)(1) =           triangle_t()(0)( 3) * in_cc_0_0
-                  +           triangle_t()(0)( 7) * in_cc_0_1
-                  +           triangle_t()(0)(10) * in_cc_0_2
-                  +           triangle_t()(0)(12) * in_cc_1_0;
-      res()(1)(1) =               diag_t()(0)( 4) * in_t()(1)(1)
-                  +           triangle_t()(0)(14) * in_t()(1)(2)
-                  + conjugate(       res()(1)( 1));
-
-      res()(1)(2) =           triangle_t()(0)( 4) * in_cc_0_0
-                  +           triangle_t()(0)( 8) * in_cc_0_1
-                  +           triangle_t()(0)(11) * in_cc_0_2
-                  +           triangle_t()(0)(13) * in_cc_1_0
-                  +           triangle_t()(0)(14) * in_cc_1_1;
-      res()(1)(2) =               diag_t()(0)( 5) * in_t()(1)(2)
-                  + conjugate(       res()(1)( 2));
-
-      vstream(out_v[sF]()(0)(0), res()(0)(0));
-      vstream(out_v[sF]()(0)(1), res()(0)(1));
-      vstream(out_v[sF]()(0)(2), res()(0)(2));
-      vstream(out_v[sF]()(1)(0), res()(1)(0));
-      vstream(out_v[sF]()(1)(1), res()(1)(1));
-      vstream(out_v[sF]()(1)(2), res()(1)(2));
-
-      // lower half
-      PREFETCH_CLOVER(1);
-
-      auto in_cc_2_0 = conjugate(in_t()(2)(0));
-      auto in_cc_2_1 = conjugate(in_t()(2)(1));
-      auto in_cc_2_2 = conjugate(in_t()(2)(2));
-      auto in_cc_3_0 = conjugate(in_t()(3)(0));
-      auto in_cc_3_1 = conjugate(in_t()(3)(1));
-
-      res()(2)(0) =               diag_t()(1)( 0) * in_t()(2)(0)
-                  +           triangle_t()(1)( 0) * in_t()(2)(1)
-                  +           triangle_t()(1)( 1) * in_t()(2)(2)
-                  +           triangle_t()(1)( 2) * in_t()(3)(0)
-                  +           triangle_t()(1)( 3) * in_t()(3)(1)
-                  +           triangle_t()(1)( 4) * in_t()(3)(2);
-
-      res()(2)(1) =           triangle_t()(1)( 0) * in_cc_2_0;
-      res()(2)(1) =               diag_t()(1)( 1) * in_t()(2)(1)
-                  +           triangle_t()(1)( 5) * in_t()(2)(2)
-                  +           triangle_t()(1)( 6) * in_t()(3)(0)
-                  +           triangle_t()(1)( 7) * in_t()(3)(1)
-                  +           triangle_t()(1)( 8) * in_t()(3)(2)
-                  + conjugate(       res()(2)( 1));
-
-      res()(2)(2) =           triangle_t()(1)( 1) * in_cc_2_0
-                  +           triangle_t()(1)( 5) * in_cc_2_1;
-      res()(2)(2) =               diag_t()(1)( 2) * in_t()(2)(2)
-                  +           triangle_t()(1)( 9) * in_t()(3)(0)
-                  +           triangle_t()(1)(10) * in_t()(3)(1)
-                  +           triangle_t()(1)(11) * in_t()(3)(2)
-                  + conjugate(       res()(2)( 2));
-
-      res()(3)(0) =           triangle_t()(1)( 2) * in_cc_2_0
-                  +           triangle_t()(1)( 6) * in_cc_2_1
-                  +           triangle_t()(1)( 9) * in_cc_2_2;
-      res()(3)(0) =               diag_t()(1)( 3) * in_t()(3)(0)
-                  +           triangle_t()(1)(12) * in_t()(3)(1)
-                  +           triangle_t()(1)(13) * in_t()(3)(2)
-                  + conjugate(       res()(3)( 0));
-
-      res()(3)(1) =           triangle_t()(1)( 3) * in_cc_2_0
-                  +           triangle_t()(1)( 7) * in_cc_2_1
-                  +           triangle_t()(1)(10) * in_cc_2_2
-                  +           triangle_t()(1)(12) * in_cc_3_0;
-      res()(3)(1) =               diag_t()(1)( 4) * in_t()(3)(1)
-                  +           triangle_t()(1)(14) * in_t()(3)(2)
-                  + conjugate(       res()(3)( 1));
-
-      res()(3)(2) =           triangle_t()(1)( 4) * in_cc_2_0
-                  +           triangle_t()(1)( 8) * in_cc_2_1
-                  +           triangle_t()(1)(11) * in_cc_2_2
-                  +           triangle_t()(1)(13) * in_cc_3_0
-                  +           triangle_t()(1)(14) * in_cc_3_1;
-      res()(3)(2) =               diag_t()(1)( 5) * in_t()(3)(2)
-                  + conjugate(       res()(3)( 2));
-
-      vstream(out_v[sF]()(2)(0), res()(2)(0));
-      vstream(out_v[sF]()(2)(1), res()(2)(1));
-      vstream(out_v[sF]()(2)(2), res()(2)(2));
-      vstream(out_v[sF]()(3)(0), res()(3)(0));
-      vstream(out_v[sF]()(3)(1), res()(3)(1));
-      vstream(out_v[sF]()(3)(2), res()(3)(2));
-    });
-  }
-
-  static void MooeeKernel(int                        Nsite,
-                          int                        Ls,
-                          const FermionField&        in,
-                          FermionField&              out,
-                          const CloverDiagonalField& diagonal,
-                          const CloverTriangleField& triangle) {
-#if defined(GRID_CUDA) || defined(GRID_HIP)
-    MooeeKernel_gpu(Nsite, Ls, in, out, diagonal, triangle);
-#else
-    MooeeKernel_cpu(Nsite, Ls, in, out, diagonal, triangle);
-#endif
-  }
-
-  static void Invert(const CloverDiagonalField& diagonal,
-                     const CloverTriangleField& triangle,
-                     CloverDiagonalField&       diagonalInv,
-                     CloverTriangleField&       triangleInv) {
-    conformable(diagonal, diagonalInv);
-    conformable(triangle, triangleInv);
-    conformable(diagonal, triangle);
-
-    diagonalInv.Checkerboard() = diagonal.Checkerboard();
-    triangleInv.Checkerboard() = triangle.Checkerboard();
-
-    GridBase* grid = diagonal.Grid();
-
-    long lsites = grid->lSites();
-
-    typedef typename SiteCloverDiagonal::scalar_object scalar_object_diagonal;
-    typedef typename SiteCloverTriangle::scalar_object scalar_object_triangle;
-
-    autoView(diagonal_v,  diagonal,  CpuRead);
-    autoView(triangle_v,  triangle,  CpuRead);
-    autoView(diagonalInv_v, diagonalInv, CpuWrite);
-    autoView(triangleInv_v, triangleInv, CpuWrite);
-
-    thread_for(site, lsites, { // NOTE: Not on GPU because of Eigen & (peek/poke)LocalSite
-      Eigen::MatrixXcd clover_inv_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
-      Eigen::MatrixXcd clover_eigen = Eigen::MatrixXcd::Zero(Ns*Nc, Ns*Nc);
-
-      scalar_object_diagonal diagonal_tmp     = Zero();
-      scalar_object_diagonal diagonal_inv_tmp = Zero();
-      scalar_object_triangle triangle_tmp     = Zero();
-      scalar_object_triangle triangle_inv_tmp = Zero();
-
-      Coordinate lcoor;
-      grid->LocalIndexToLocalCoor(site, lcoor);
-
-      peekLocalSite(diagonal_tmp, diagonal_v, lcoor);
-      peekLocalSite(triangle_tmp, triangle_v, lcoor);
-
-      // TODO: can we save time here by inverting the two 6x6 hermitian matrices separately?
-      for (long s_row=0;s_row<Ns;s_row++) {
-        for (long s_col=0;s_col<Ns;s_col++) {
-          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
-          int block       = s_row / Nhs;
-          int s_row_block = s_row % Nhs;
-          int s_col_block = s_col % Nhs;
-          for (long c_row=0;c_row<Nc;c_row++) {
-            for (long c_col=0;c_col<Nc;c_col++) {
-              int i = s_row_block * Nc + c_row;
-              int j = s_col_block * Nc + c_col;
-              if(i == j)
-                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(diagonal_tmp()(block)(i)));
-              else
-                clover_eigen(s_row*Nc+c_row, s_col*Nc+c_col) = static_cast<ComplexD>(TensorRemove(triangle_elem(triangle_tmp, block, i, j)));
-            }
-          }
-        }
-      }
-
-      clover_inv_eigen = clover_eigen.inverse();
-
-      for (long s_row=0;s_row<Ns;s_row++) {
-        for (long s_col=0;s_col<Ns;s_col++) {
-          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
-          int block       = s_row / Nhs;
-          int s_row_block = s_row % Nhs;
-          int s_col_block = s_col % Nhs;
-          for (long c_row=0;c_row<Nc;c_row++) {
-            for (long c_col=0;c_col<Nc;c_col++) {
-              int i = s_row_block * Nc + c_row;
-              int j = s_col_block * Nc + c_col;
-              if(i == j)
-                diagonal_inv_tmp()(block)(i) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
-              else if(i < j)
-                triangle_inv_tmp()(block)(triangle_index(i, j)) = clover_inv_eigen(s_row*Nc+c_row, s_col*Nc+c_col);
-              else
-                continue;
-            }
-          }
-        }
-      }
-
-      pokeLocalSite(diagonal_inv_tmp, diagonalInv_v, lcoor);
-      pokeLocalSite(triangle_inv_tmp, triangleInv_v, lcoor);
-    });
-  }
-
-  static void ConvertLayout(const CloverField&   full,
-                            CloverDiagonalField& diagonal,
-                            CloverTriangleField& triangle) {
-    conformable(full, diagonal);
-    conformable(full, triangle);
-
-    diagonal.Checkerboard() = full.Checkerboard();
-    triangle.Checkerboard() = full.Checkerboard();
-
-    autoView(full_v,     full,     AcceleratorRead);
-    autoView(diagonal_v, diagonal, AcceleratorWrite);
-    autoView(triangle_v, triangle, AcceleratorWrite);
-
-    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
-    accelerator_for(ss, full.Grid()->oSites(), 1, {
-      for(int s_row = 0; s_row < Ns; s_row++) {
-        for(int s_col = 0; s_col < Ns; s_col++) {
-          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
-          int block       = s_row / Nhs;
-          int s_row_block = s_row % Nhs;
-          int s_col_block = s_col % Nhs;
-          for(int c_row = 0; c_row < Nc; c_row++) {
-            for(int c_col = 0; c_col < Nc; c_col++) {
-              int i = s_row_block * Nc + c_row;
-              int j = s_col_block * Nc + c_col;
-              if(i == j)
-                diagonal_v[ss]()(block)(i) = full_v[ss]()(s_row, s_col)(c_row, c_col);
-              else if(i < j)
-                triangle_v[ss]()(block)(triangle_index(i, j)) = full_v[ss]()(s_row, s_col)(c_row, c_col);
-              else
-                continue;
-            }
-          }
-        }
-      }
-    });
-  }
-
-
-  static void ConvertLayout(const CloverDiagonalField& diagonal,
-                            const CloverTriangleField& triangle,
-                            CloverField&               full) {
-    conformable(full, diagonal);
-    conformable(full, triangle);
-
-    full.Checkerboard() = diagonal.Checkerboard();
-
-    full = Zero();
-
-    autoView(diagonal_v, diagonal, AcceleratorRead);
-    autoView(triangle_v, triangle, AcceleratorRead);
-    autoView(full_v,     full,     AcceleratorWrite);
-
-    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
-    accelerator_for(ss, full.Grid()->oSites(), 1, {
-      for(int s_row = 0; s_row < Ns; s_row++) {
-        for(int s_col = 0; s_col < Ns; s_col++) {
-          if(abs(s_row - s_col) > 1 || s_row + s_col == 3) continue;
-          int block       = s_row / Nhs;
-          int s_row_block = s_row % Nhs;
-          int s_col_block = s_col % Nhs;
-          for(int c_row = 0; c_row < Nc; c_row++) {
-            for(int c_col = 0; c_col < Nc; c_col++) {
-              int i = s_row_block * Nc + c_row;
-              int j = s_col_block * Nc + c_col;
-              if(i == j)
-                full_v[ss]()(s_row, s_col)(c_row, c_col) = diagonal_v[ss]()(block)(i);
-              else
-                full_v[ss]()(s_row, s_col)(c_row, c_col) = triangle_elem(triangle_v[ss], block, i, j);
-            }
-          }
-        }
-      }
-    });
-  }
-
-  static void ModifyBoundaries(CloverDiagonalField& diagonal, CloverTriangleField& triangle, RealD csw_t, RealD cF, RealD diag_mass) {
-    // Checks/grid
-    double t0 = usecond();
-    conformable(diagonal, triangle);
-    GridBase* grid = diagonal.Grid();
-
-    // Determine the boundary coordinates/sites
-    double t1 = usecond();
-    int t_dir = Nd - 1;
-    Lattice<iScalar<vInteger>> t_coor(grid);
-    LatticeCoordinate(t_coor, t_dir);
-    int T = grid->GlobalDimensions()[t_dir];
-
-    // Set off-diagonal parts at boundary to zero -- OK
-    double t2 = usecond();
-    CloverTriangleField zeroTriangle(grid);
-    zeroTriangle.Checkerboard() = triangle.Checkerboard();
-    zeroTriangle = Zero();
-    triangle = where(t_coor == 0,   zeroTriangle, triangle);
-    triangle = where(t_coor == T-1, zeroTriangle, triangle);
-
-    // Set diagonal to unity (scaled correctly) -- OK
-    double t3 = usecond();
-    CloverDiagonalField tmp(grid);
-    tmp.Checkerboard() = diagonal.Checkerboard();
-    tmp                = -1.0 * csw_t + diag_mass;
-    diagonal           = where(t_coor == 0,   tmp, diagonal);
-    diagonal           = where(t_coor == T-1, tmp, diagonal);
-
-    // Correct values next to boundary
-    double t4 = usecond();
-    if(cF != 1.0) {
-      tmp = cF - 1.0;
-      tmp += diagonal;
-      diagonal = where(t_coor == 1,   tmp, diagonal);
-      diagonal = where(t_coor == T-2, tmp, diagonal);
-    }
-
-    // Report timings
-    double t5 = usecond();
-#if 0
-    std::cout << GridLogMessage << "CompactWilsonCloverHelpers::ModifyBoundaries timings:"
-              << " checks = "          << (t1 - t0) / 1e6
-              << ", coordinate = "     << (t2 - t1) / 1e6
-              << ", off-diag zero = "  << (t3 - t2) / 1e6
-              << ", diagonal unity = " << (t4 - t3) / 1e6
-              << ", near-boundary = "  << (t5 - t4) / 1e6
-              << ", total = "          << (t5 - t0) / 1e6
-              << std::endl;
-#endif
-  }
-
-  template<class Field, class Mask>
-  static strong_inline void ApplyBoundaryMask(Field& f, const Mask& m) {
-    conformable(f, m);
-    auto grid  = f.Grid();
-    const int Nsite = grid->oSites();
-    const int Nsimd = grid->Nsimd();
-    autoView(f_v, f, AcceleratorWrite);
-    autoView(m_v, m, AcceleratorRead);
-    // NOTE: this function cannot be 'private' since nvcc forbids this for kernels
-    accelerator_for(ss, Nsite, Nsimd, {
-      coalescedWrite(f_v[ss], m_v(ss) * f_v(ss));
-    });
-  }
-
-  template<class MaskField>
-  static void SetupMasks(MaskField& full, MaskField& even, MaskField& odd) {
-    assert(even.Grid()->_isCheckerBoarded && even.Checkerboard() == Even);
-    assert(odd.Grid()->_isCheckerBoarded  && odd.Checkerboard()  == Odd);
-    assert(!full.Grid()->_isCheckerBoarded);
-
-    GridBase* grid = full.Grid();
-    int t_dir = Nd-1;
-    Lattice<iScalar<vInteger>> t_coor(grid);
-    LatticeCoordinate(t_coor, t_dir);
-    int T = grid->GlobalDimensions()[t_dir];
-
-    MaskField zeroMask(grid); zeroMask = Zero();
-    full = 1.0;
-    full = where(t_coor == 0,   zeroMask, full);
-    full = where(t_coor == T-1, zeroMask, full);
-
-    pickCheckerboard(Even, even, full);
-    pickCheckerboard(Odd,  odd,  full);
-  }
-};
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/WilsonCloverTypes.h

@@ -1,92 +0,0 @@
-/*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid
-
-    Source file: ./lib/qcd/action/fermion/WilsonCloverTypes.h
-
-    Copyright (C) 2021 - 2022
-
-    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-*************************************************************************************/
-/*  END LEGAL */
-
-#pragma once
-
-NAMESPACE_BEGIN(Grid);
-
-template<class Impl>
-class WilsonCloverTypes {
-public:
-  INHERIT_IMPL_TYPES(Impl);
-
-  template <typename vtype> using iImplClover = iScalar<iMatrix<iMatrix<vtype, Impl::Dimension>, Ns>>;
-
-  typedef iImplClover<Simd> SiteClover;
-
-  typedef Lattice<SiteClover> CloverField;
-};
-
-template<class Impl>
-class CompactWilsonCloverTypes {
-public:
-  INHERIT_IMPL_TYPES(Impl);
-
-  static_assert(Nd == 4 && Nc == 3 && Ns == 4 && Impl::Dimension == 3, "Wrong dimensions");
-
-  static constexpr int Nred      = Nc * Nhs;        // 6
-  static constexpr int Nblock    = Nhs;             // 2
-  static constexpr int Ndiagonal = Nred;            // 6
-  static constexpr int Ntriangle = (Nred - 1) * Nc; // 15
-
-  template<typename vtype> using iImplCloverDiagonal = iScalar<iVector<iVector<vtype, Ndiagonal>, Nblock>>;
-  template<typename vtype> using iImplCloverTriangle = iScalar<iVector<iVector<vtype, Ntriangle>, Nblock>>;
-
-  typedef iImplCloverDiagonal<Simd> SiteCloverDiagonal;
-  typedef iImplCloverTriangle<Simd> SiteCloverTriangle;
-  typedef iSinglet<Simd>            SiteMask;
-
-  typedef Lattice<SiteCloverDiagonal> CloverDiagonalField;
-  typedef Lattice<SiteCloverTriangle> CloverTriangleField;
-  typedef Lattice<SiteMask>           MaskField;
-};
-
-#define INHERIT_CLOVER_TYPES(Impl)                                 \
-  typedef typename WilsonCloverTypes<Impl>::SiteClover SiteClover; \
-  typedef typename WilsonCloverTypes<Impl>::CloverField CloverField;
-
-#define INHERIT_COMPACT_CLOVER_TYPES(Impl) \
-  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverDiagonal  SiteCloverDiagonal; \
-  typedef typename CompactWilsonCloverTypes<Impl>::SiteCloverTriangle  SiteCloverTriangle; \
-  typedef typename CompactWilsonCloverTypes<Impl>::SiteMask            SiteMask; \
-  typedef typename CompactWilsonCloverTypes<Impl>::CloverDiagonalField CloverDiagonalField; \
-  typedef typename CompactWilsonCloverTypes<Impl>::CloverTriangleField CloverTriangleField; \
-  typedef typename CompactWilsonCloverTypes<Impl>::MaskField           MaskField; \
-  /* ugly duplication but needed inside functionality classes */ \
-  template<typename vtype> using iImplCloverDiagonal = \
-    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ndiagonal>, CompactWilsonCloverTypes<Impl>::Nblock>>; \
-  template<typename vtype> using iImplCloverTriangle = \
-    iScalar<iVector<iVector<vtype, CompactWilsonCloverTypes<Impl>::Ntriangle>, CompactWilsonCloverTypes<Impl>::Nblock>>;
-
-#define INHERIT_COMPACT_CLOVER_SIZES(Impl)                                    \
-  static constexpr int Nred      = CompactWilsonCloverTypes<Impl>::Nred;      \
-  static constexpr int Nblock    = CompactWilsonCloverTypes<Impl>::Nblock;    \
-  static constexpr int Ndiagonal = CompactWilsonCloverTypes<Impl>::Ndiagonal; \
-  static constexpr int Ntriangle = CompactWilsonCloverTypes<Impl>::Ntriangle;
-
-NAMESPACE_END(Grid);

Grid/qcd/action/fermion/WilsonCompressor.h

@@ -303,8 +303,10 @@ public:
 		int npoints,
 		int checkerboard,
 		const std::vector<int> &directions,
-		const std::vector<int> &distances,Parameters p)  
+		const std::vector<int> &distances,
-    : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,p) 
+		bool locally_periodic,
+		Parameters p)  
+    : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,locally_periodic,p)
   {
     ZeroCountersi();
     surface_list.resize(0);

Grid/qcd/action/fermion/WilsonFermion.h

@@ -146,6 +146,9 @@ 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);
 
@@ -157,6 +160,9 @@ 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

@@ -75,10 +75,6 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  int Dirichlet;
-  Coordinate Block; 
-
-  /********** Deprecate timers **********/
   void Report(void);
   void ZeroCounters(void);
   double DhopCalls;
@@ -170,6 +166,13 @@ public:
 			       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,
@@ -178,30 +181,11 @@ public:
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  double _M5,const ImplParams &p= ImplParams());
     
-  virtual void DirichletBlock(Coordinate & block)
-  {
-    assert(block.size()==Nd+1);
-    if ( block[0] || block[1] || block[2] || block[3] || block[4] ){
-      Dirichlet = 1;
-      Block = block;
-      Stencil.DirichletBlock(block); 
-      StencilEven.DirichletBlock(block); 
-      StencilOdd.DirichletBlock(block);
-    }
-  }
-  // Constructors
-  /*
-    WilsonFermion5D(int simd, 
-    GaugeField &_Umu,
-    GridCartesian         &FiveDimGrid,
-    GridRedBlackCartesian &FiveDimRedBlackGrid,
-    GridCartesian         &FourDimGrid,
-    double _M5,const ImplParams &p= ImplParams());
-  */
-    
   // DoubleStore
   void ImportGauge(const GaugeField &_Umu);
-    
+  DoubledGaugeField &GetDoubledGaugeField(void){ return Umu; };
+  DoubledGaugeField &GetDoubledGaugeFieldE(void){ return UmuEven; };
+  DoubledGaugeField &GetDoubledGaugeFieldO(void){ return UmuOdd; };
   ///////////////////////////////////////////////////////////////
   // Data members require to support the functionality
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/WilsonKernels.h

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

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

@@ -112,7 +112,6 @@ void CayleyFermion5D<Impl>::ImportUnphysicalFermion(const FermionField &input4d,
   axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
   imported5d=tmp;
 }
-
 template<class Impl>  
 void CayleyFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &input4d,FermionField &imported5d)
 {
@@ -127,6 +126,37 @@ void CayleyFermion5D<Impl>::ImportPhysicalFermionSource(const FermionField &inpu
   axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
   Dminus(tmp,imported5d);
 }
+////////////////////////////////////////////////////
+// Added for fourD pseudofermion det estimation
+////////////////////////////////////////////////////
+template<class Impl>  
+void CayleyFermion5D<Impl>::ImportFourDimPseudoFermion(const FermionField &input4d,FermionField &imported5d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  conformable(imported5d.Grid(),this->FermionGrid());
+  conformable(input4d.Grid()   ,this->GaugeGrid());
+  tmp = Zero();
+  InsertSlice(input4d, tmp, 0   , 0);
+  InsertSlice(input4d, tmp, Ls-1, 0);
+  axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, 0, 0);
+  axpby_ssp_pplus (tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
+  imported5d=tmp;
+}
+template<class Impl>  
+void CayleyFermion5D<Impl>::ExportFourDimPseudoFermion(const FermionField &solution5d,FermionField &exported4d)
+{
+  int Ls = this->Ls;
+  FermionField tmp(this->FermionGrid());
+  tmp = solution5d;
+  conformable(solution5d.Grid(),this->FermionGrid());
+  conformable(exported4d.Grid(),this->GaugeGrid());
+  axpby_ssp_pminus(tmp, 0., solution5d, 1., solution5d, 0, 0);
+  axpby_ssp_pplus (tmp, 1., tmp       , 1., solution5d, 0, Ls-1);
+  ExtractSlice(exported4d, tmp, 0, 0);
+}
+
+// Dminus
 template<class Impl>  
 void CayleyFermion5D<Impl>::Dminus(const FermionField &psi, FermionField &chi)
 {
@@ -828,7 +858,6 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
 
 #if (!defined(GRID_HIP))
   int tshift = (mu == Nd-1) ? 1 : 0;
-  unsigned int LLt    = GridDefaultLatt()[Tp];
   ////////////////////////////////////////////////
   // GENERAL CAYLEY CASE
   ////////////////////////////////////////////////
@@ -881,7 +910,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
   }
 
   std::vector<RealD> G_s(Ls,1.0);
-  RealD sign = 1.0; // sign flip for vector/tadpole
+  RealD sign = 1; // sign flip for vector/tadpole
   if ( curr_type == Current::Axial ) {
     for(int s=0;s<Ls/2;s++){
       G_s[s] = -1.0;
@@ -891,7 +920,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     auto b=this->_b;
     auto c=this->_c;
     if ( b == 1 && c == 0 ) {
-      sign = -1.0;    
+      sign = -1;    
     }
     else {
       std::cerr << "Error: Tadpole implementation currently unavailable for non-Shamir actions." << std::endl;
@@ -935,13 +964,7 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
     tmp    = Cshift(tmp,mu,-1);
     Impl::multLinkField(Utmp,this->Umu,tmp,mu+Nd); // Adjoint link
     tmp = -G_s[s]*( Utmp + gmu*Utmp );
-    // Mask the time
+    tmp    = where((lcoor>=tmin+tshift),tmp,zz); // Mask the time 
-    if (tmax == LLt - 1 && tshift == 1){ // quick fix to include timeslice 0 if tmax + tshift is over the last timeslice
-      unsigned int t0 = 0;
-      tmp    = where(((lcoor==t0) || (lcoor>=tmin+tshift)),tmp,zz);
-    } else {
-      tmp    = where((lcoor>=tmin+tshift),tmp,zz);
-    }
     L_Q   += where((lcoor<=tmax+tshift),tmp,zz); // Position of current complicated
 
     InsertSlice(L_Q, q_out, s , 0);

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

@@ -1,363 +0,0 @@
-/*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid
-
-    Source file: ./lib/qcd/action/fermion/CompactWilsonCloverFermionImplementation.h
-
-    Copyright (C) 2017 - 2022
-
-    Author: paboyle <paboyle@ph.ed.ac.uk>
-    Author: Guido Cossu <guido.cossu@ed.ac.uk>
-    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-/*  END LEGAL */
-
-#include <Grid/Grid.h>
-#include <Grid/qcd/spin/Dirac.h>
-#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
-
-NAMESPACE_BEGIN(Grid);
-template<class Impl>
-CompactWilsonCloverFermion<Impl>::CompactWilsonCloverFermion(GaugeField& _Umu,
-                                                             GridCartesian& Fgrid,
-                                                             GridRedBlackCartesian& Hgrid,
-                                                             const RealD _mass,
-                                                             const RealD _csw_r,
-                                                             const RealD _csw_t,
-                                                             const RealD _cF,
-                                                             const WilsonAnisotropyCoefficients& clover_anisotropy,
-                                                             const ImplParams& impl_p)
-  : WilsonBase(_Umu, Fgrid, Hgrid, _mass, impl_p, clover_anisotropy)
-  , csw_r(_csw_r)
-  , csw_t(_csw_t)
-  , cF(_cF)
-  , open_boundaries(impl_p.boundary_phases[Nd-1] == 0.0)
-  , Diagonal(&Fgrid),        Triangle(&Fgrid)
-  , DiagonalEven(&Hgrid),    TriangleEven(&Hgrid)
-  , DiagonalOdd(&Hgrid),     TriangleOdd(&Hgrid)
-  , DiagonalInv(&Fgrid),     TriangleInv(&Fgrid)
-  , DiagonalInvEven(&Hgrid), TriangleInvEven(&Hgrid)
-  , DiagonalInvOdd(&Hgrid),  TriangleInvOdd(&Hgrid)
-  , Tmp(&Fgrid)
-  , BoundaryMask(&Fgrid)
-  , BoundaryMaskEven(&Hgrid), BoundaryMaskOdd(&Hgrid)
-{
-  csw_r *= 0.5;
-  csw_t *= 0.5;
-  if (clover_anisotropy.isAnisotropic)
-    csw_r /= clover_anisotropy.xi_0;
-
-  ImportGauge(_Umu);
-  if (open_boundaries)
-    CompactHelpers::SetupMasks(this->BoundaryMask, this->BoundaryMaskEven, this->BoundaryMaskOdd);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::Dhop(const FermionField& in, FermionField& out, int dag) {
-  WilsonBase::Dhop(in, out, dag);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::DhopOE(const FermionField& in, FermionField& out, int dag) {
-  WilsonBase::DhopOE(in, out, dag);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::DhopEO(const FermionField& in, FermionField& out, int dag) {
-  WilsonBase::DhopEO(in, out, dag);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::DhopDir(const FermionField& in, FermionField& out, int dir, int disp) {
-  WilsonBase::DhopDir(in, out, dir, disp);
-  if(this->open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::DhopDirAll(const FermionField& in, std::vector<FermionField>& out) {
-  WilsonBase::DhopDirAll(in, out);
-  if(this->open_boundaries) {
-    for(auto& o : out) ApplyBoundaryMask(o);
-  }
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::M(const FermionField& in, FermionField& out) {
-  out.Checkerboard() = in.Checkerboard();
-  WilsonBase::Dhop(in, out, DaggerNo); // call base to save applying bc
-  Mooee(in, Tmp);
-  axpy(out, 1.0, out, Tmp);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::Mdag(const FermionField& in, FermionField& out) {
-  out.Checkerboard() = in.Checkerboard();
-  WilsonBase::Dhop(in, out, DaggerYes);  // call base to save applying bc
-  MooeeDag(in, Tmp);
-  axpy(out, 1.0, out, Tmp);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::Meooe(const FermionField& in, FermionField& out) {
-  WilsonBase::Meooe(in, out);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MeooeDag(const FermionField& in, FermionField& out) {
-  WilsonBase::MeooeDag(in, out);
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::Mooee(const FermionField& in, FermionField& out) {
-  if(in.Grid()->_isCheckerBoarded) {
-    if(in.Checkerboard() == Odd) {
-      MooeeInternal(in, out, DiagonalOdd, TriangleOdd);
-    } else {
-      MooeeInternal(in, out, DiagonalEven, TriangleEven);
-    }
-  } else {
-    MooeeInternal(in, out, Diagonal, Triangle);
-  }
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MooeeDag(const FermionField& in, FermionField& out) {
-  Mooee(in, out); // blocks are hermitian
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MooeeInv(const FermionField& in, FermionField& out) {
-  if(in.Grid()->_isCheckerBoarded) {
-    if(in.Checkerboard() == Odd) {
-      MooeeInternal(in, out, DiagonalInvOdd, TriangleInvOdd);
-    } else {
-      MooeeInternal(in, out, DiagonalInvEven, TriangleInvEven);
-    }
-  } else {
-    MooeeInternal(in, out, DiagonalInv, TriangleInv);
-  }
-  if(open_boundaries) ApplyBoundaryMask(out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MooeeInvDag(const FermionField& in, FermionField& out) {
-  MooeeInv(in, out); // blocks are hermitian
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::Mdir(const FermionField& in, FermionField& out, int dir, int disp) {
-  DhopDir(in, out, dir, disp);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MdirAll(const FermionField& in, std::vector<FermionField>& out) {
-  DhopDirAll(in, out);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MDeriv(GaugeField& force, const FermionField& X, const FermionField& Y, int dag) {
-  assert(!open_boundaries); // TODO check for changes required for open bc
-
-  // NOTE: code copied from original clover term
-  conformable(X.Grid(), Y.Grid());
-  conformable(X.Grid(), force.Grid());
-  GaugeLinkField force_mu(force.Grid()), lambda(force.Grid());
-  GaugeField clover_force(force.Grid());
-  PropagatorField Lambda(force.Grid());
-
-  // Guido: Here we are hitting some performance issues:
-  // need to extract the components of the DoubledGaugeField
-  // for each call
-  // Possible solution
-  // Create a vector object to store them? (cons: wasting space)
-  std::vector<GaugeLinkField> U(Nd, this->Umu.Grid());
-
-  Impl::extractLinkField(U, this->Umu);
-
-  force = Zero();
-  // Derivative of the Wilson hopping term
-  this->DhopDeriv(force, X, Y, dag);
-
-  ///////////////////////////////////////////////////////////
-  // Clover term derivative
-  ///////////////////////////////////////////////////////////
-  Impl::outerProductImpl(Lambda, X, Y);
-  //std::cout << "Lambda:" << Lambda << std::endl;
-
-  Gamma::Algebra sigma[] = {
-      Gamma::Algebra::SigmaXY,
-      Gamma::Algebra::SigmaXZ,
-      Gamma::Algebra::SigmaXT,
-      Gamma::Algebra::MinusSigmaXY,
-      Gamma::Algebra::SigmaYZ,
-      Gamma::Algebra::SigmaYT,
-      Gamma::Algebra::MinusSigmaXZ,
-      Gamma::Algebra::MinusSigmaYZ,
-      Gamma::Algebra::SigmaZT,
-      Gamma::Algebra::MinusSigmaXT,
-      Gamma::Algebra::MinusSigmaYT,
-      Gamma::Algebra::MinusSigmaZT};
-
-  /*
-    sigma_{\mu \nu}=
-    | 0         sigma[0]  sigma[1]  sigma[2] |
-    | sigma[3]    0       sigma[4]  sigma[5] |
-    | sigma[6]  sigma[7]     0      sigma[8] |
-    | sigma[9]  sigma[10] sigma[11]   0      |
-  */
-
-  int count = 0;
-  clover_force = Zero();
-  for (int mu = 0; mu < 4; mu++)
-  {
-    force_mu = Zero();
-    for (int nu = 0; nu < 4; nu++)
-    {
-      if (mu == nu)
-        continue;
-
-      RealD factor;
-      if (nu == 4 || mu == 4)
-      {
-        factor = 2.0 * csw_t;
-      }
-      else
-      {
-        factor = 2.0 * csw_r;
-      }
-      PropagatorField Slambda = Gamma(sigma[count]) * Lambda; // sigma checked
-      Impl::TraceSpinImpl(lambda, Slambda);                   // traceSpin ok
-      force_mu -= factor*Helpers::Cmunu(U, lambda, mu, nu);   // checked
-      count++;
-    }
-
-    pokeLorentz(clover_force, U[mu] * force_mu, mu);
-  }
-  //clover_force *= csw;
-  force += clover_force;
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MooDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
-  assert(0);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MeeDeriv(GaugeField& mat, const FermionField& U, const FermionField& V, int dag) {
-  assert(0);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::MooeeInternal(const FermionField&        in,
-                    FermionField&              out,
-                    const CloverDiagonalField& diagonal,
-                    const CloverTriangleField& triangle) {
-  assert(in.Checkerboard() == Odd || in.Checkerboard() == Even);
-  out.Checkerboard() = in.Checkerboard();
-  conformable(in, out);
-  conformable(in, diagonal);
-  conformable(in, triangle);
-
-  CompactHelpers::MooeeKernel(diagonal.oSites(), 1, in, out, diagonal, triangle);
-}
-
-template<class Impl>
-void CompactWilsonCloverFermion<Impl>::ImportGauge(const GaugeField& _Umu) {
-  // NOTE: parts copied from original implementation
-
-  // Import gauge into base class
-  double t0 = usecond();
-  WilsonBase::ImportGauge(_Umu); // NOTE: called here and in wilson constructor -> performed twice, but can't avoid that
-
-  // Initialize temporary variables
-  double t1 = usecond();
-  conformable(_Umu.Grid(), this->GaugeGrid());
-  GridBase* grid = _Umu.Grid();
-  typename Impl::GaugeLinkField Bx(grid), By(grid), Bz(grid), Ex(grid), Ey(grid), Ez(grid);
-  CloverField TmpOriginal(grid);
-
-  // Compute the field strength terms mu>nu
-  double t2 = usecond();
-  WilsonLoops<Impl>::FieldStrength(Bx, _Umu, Zdir, Ydir);
-  WilsonLoops<Impl>::FieldStrength(By, _Umu, Zdir, Xdir);
-  WilsonLoops<Impl>::FieldStrength(Bz, _Umu, Ydir, Xdir);
-  WilsonLoops<Impl>::FieldStrength(Ex, _Umu, Tdir, Xdir);
-  WilsonLoops<Impl>::FieldStrength(Ey, _Umu, Tdir, Ydir);
-  WilsonLoops<Impl>::FieldStrength(Ez, _Umu, Tdir, Zdir);
-
-  // Compute the Clover Operator acting on Colour and Spin
-  // multiply here by the clover coefficients for the anisotropy
-  double t3 = usecond();
-  TmpOriginal  = Helpers::fillCloverYZ(Bx) * csw_r;
-  TmpOriginal += Helpers::fillCloverXZ(By) * csw_r;
-  TmpOriginal += Helpers::fillCloverXY(Bz) * csw_r;
-  TmpOriginal += Helpers::fillCloverXT(Ex) * csw_t;
-  TmpOriginal += Helpers::fillCloverYT(Ey) * csw_t;
-  TmpOriginal += Helpers::fillCloverZT(Ez) * csw_t;
-  TmpOriginal += this->diag_mass;
-
-  // Convert the data layout of the clover term
-  double t4 = usecond();
-  CompactHelpers::ConvertLayout(TmpOriginal, Diagonal, Triangle);
-
-  // Possible modify the boundary values
-  double t5 = usecond();
-  if(open_boundaries) CompactHelpers::ModifyBoundaries(Diagonal, Triangle, csw_t, cF, this->diag_mass);
-
-  // Invert the clover term in the improved layout
-  double t6 = usecond();
-  CompactHelpers::Invert(Diagonal, Triangle, DiagonalInv, TriangleInv);
-
-  // Fill the remaining clover fields
-  double t7 = usecond();
-  pickCheckerboard(Even, DiagonalEven,    Diagonal);
-  pickCheckerboard(Even, TriangleEven,    Triangle);
-  pickCheckerboard(Odd,  DiagonalOdd,     Diagonal);
-  pickCheckerboard(Odd,  TriangleOdd,     Triangle);
-  pickCheckerboard(Even, DiagonalInvEven, DiagonalInv);
-  pickCheckerboard(Even, TriangleInvEven, TriangleInv);
-  pickCheckerboard(Odd,  DiagonalInvOdd,  DiagonalInv);
-  pickCheckerboard(Odd,  TriangleInvOdd,  TriangleInv);
-
-  // Report timings
-  double t8 = usecond();
-#if 0
-  std::cout << GridLogMessage << "CompactWilsonCloverFermion::ImportGauge timings:"
-            << " WilsonFermion::Importgauge = " << (t1 - t0) / 1e6
-            << ", allocations = "               << (t2 - t1) / 1e6
-            << ", field strength = "            << (t3 - t2) / 1e6
-            << ", fill clover = "               << (t4 - t3) / 1e6
-            << ", convert = "                   << (t5 - t4) / 1e6
-            << ", boundaries = "                << (t6 - t5) / 1e6
-            << ", inversions = "                << (t7 - t6) / 1e6
-            << ", pick cbs = "                  << (t8 - t7) / 1e6
-            << ", total = "                     << (t8 - t0) / 1e6
-            << std::endl;
-#endif
-}
-
-NAMESPACE_END(Grid);

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

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

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

@@ -51,17 +51,16 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   _FiveDimRedBlackGrid(&FiveDimRedBlackGrid),
   _FourDimGrid        (&FourDimGrid),
   _FourDimRedBlackGrid(&FourDimRedBlackGrid),
-  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p),
+  Stencil    (_FiveDimGrid,npoint,Even,directions,displacements,p.locally_periodic,p),
-  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p), // source is Even
+  StencilEven(_FiveDimRedBlackGrid,npoint,Even,directions,displacements,p.locally_periodic,p), // source is Even
-  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p), // source is Odd
+  StencilOdd (_FiveDimRedBlackGrid,npoint,Odd ,directions,displacements,p.locally_periodic,p), // source is Odd
   M5(_M5),
   Umu(_FourDimGrid),
   UmuEven(_FourDimRedBlackGrid),
   UmuOdd (_FourDimRedBlackGrid),
   Lebesgue(_FourDimGrid),
   LebesgueEvenOdd(_FourDimRedBlackGrid),
-  _tmp(&FiveDimRedBlackGrid),
+  _tmp(&FiveDimRedBlackGrid)
-  Dirichlet(0)
 {
   // some assertions
   assert(FiveDimGrid._ndimension==5);
@@ -219,14 +218,6 @@ void WilsonFermion5D<Impl>::ImportGauge(const GaugeField &_Umu)
 {
   GaugeField HUmu(_Umu.Grid());
   HUmu = _Umu*(-0.5);
-  if ( Dirichlet ) {
-    std::cout << GridLogMessage << " Dirichlet BCs 5d " <<Block<<std::endl;
-    Coordinate GaugeBlock(Nd);
-    for(int d=0;d<Nd;d++) GaugeBlock[d] = Block[d+1];
-    std::cout << GridLogMessage << " Dirichlet BCs 4d " <<GaugeBlock<<std::endl;
-    DirichletFilter<GaugeField> Filter(GaugeBlock);
-    Filter.applyFilter(HUmu);
-  }
   Impl::DoubleStore(GaugeGrid(),Umu,HUmu);
   pickCheckerboard(Even,UmuEven,Umu);
   pickCheckerboard(Odd ,UmuOdd,Umu);
@@ -370,10 +361,21 @@ void WilsonFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOrder &lo,
                                          const FermionField &in, FermionField &out,int dag)
 {
   DhopTotalTime-=usecond();
-  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
+
+  assert(  (WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute)
+	 ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute)
+         ||(WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet) );
+
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute ) {
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
-  else 
+  }
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsThenCompute ) {
     DhopInternalSerialComms(st,lo,U,in,out,dag);
+  }
+  if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsDirichlet ) {
+    DhopInternalDirichletComms(st,lo,U,in,out,dag);
+  }
+  
   DhopTotalTime+=usecond();
 }
 
@@ -440,6 +442,30 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
   DhopComputeTime2+=usecond();
 }
 
+template<class Impl>
+void WilsonFermion5D<Impl>::DhopInternalDirichletComms(StencilImpl & st, LebesgueOrder &lo,
+						       DoubledGaugeField & U,
+						       const FermionField &in, FermionField &out,int dag)
+{
+  Compressor compressor(dag);
+
+  int LLs = in.Grid()->_rdimensions[0];
+  int len =  U.Grid()->oSites();
+      
+  /////////////////////////////
+  // do the compute interior
+  /////////////////////////////
+  int Opt = WilsonKernelsStatic::Opt; // Why pass this. Kernels should know
+  DhopComputeTime-=usecond();
+  if (dag == DaggerYes) {
+    Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
+  } else {
+    Kernels::DhopKernel   (Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
+  }
+  accelerator_barrier();
+  DhopComputeTime+=usecond();
+}
+
 
 template<class Impl>
 void WilsonFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st, LebesgueOrder &lo,

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

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

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

@@ -77,23 +77,23 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define REGISTER
 
 #ifdef GRID_SIMT
-#define LOAD_CHIMU(Ptype)		\
+#define LOAD_CHIMU(ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
-    Chimu_00=coalescedReadPermute<Ptype>(ref()(0)(0),perm,lane);	\
+    Chimu_00=coalescedReadPermute<ptype>(ref()(0)(0),perm,lane);	\
-    Chimu_01=coalescedReadPermute<Ptype>(ref()(0)(1),perm,lane);		\
+    Chimu_01=coalescedReadPermute<ptype>(ref()(0)(1),perm,lane);		\
-    Chimu_02=coalescedReadPermute<Ptype>(ref()(0)(2),perm,lane);		\
+    Chimu_02=coalescedReadPermute<ptype>(ref()(0)(2),perm,lane);		\
-    Chimu_10=coalescedReadPermute<Ptype>(ref()(1)(0),perm,lane);		\
+    Chimu_10=coalescedReadPermute<ptype>(ref()(1)(0),perm,lane);		\
-    Chimu_11=coalescedReadPermute<Ptype>(ref()(1)(1),perm,lane);		\
+    Chimu_11=coalescedReadPermute<ptype>(ref()(1)(1),perm,lane);		\
-    Chimu_12=coalescedReadPermute<Ptype>(ref()(1)(2),perm,lane);		\
+    Chimu_12=coalescedReadPermute<ptype>(ref()(1)(2),perm,lane);		\
-    Chimu_20=coalescedReadPermute<Ptype>(ref()(2)(0),perm,lane);		\
+    Chimu_20=coalescedReadPermute<ptype>(ref()(2)(0),perm,lane);		\
-    Chimu_21=coalescedReadPermute<Ptype>(ref()(2)(1),perm,lane);		\
+    Chimu_21=coalescedReadPermute<ptype>(ref()(2)(1),perm,lane);		\
-    Chimu_22=coalescedReadPermute<Ptype>(ref()(2)(2),perm,lane);		\
+    Chimu_22=coalescedReadPermute<ptype>(ref()(2)(2),perm,lane);		\
-    Chimu_30=coalescedReadPermute<Ptype>(ref()(3)(0),perm,lane);		\
+    Chimu_30=coalescedReadPermute<ptype>(ref()(3)(0),perm,lane);		\
-    Chimu_31=coalescedReadPermute<Ptype>(ref()(3)(1),perm,lane);		\
+    Chimu_31=coalescedReadPermute<ptype>(ref()(3)(1),perm,lane);		\
-    Chimu_32=coalescedReadPermute<Ptype>(ref()(3)(2),perm,lane);	}
+    Chimu_32=coalescedReadPermute<ptype>(ref()(3)(2),perm,lane);	}
 #define PERMUTE_DIR(dir) ;
 #else
-#define LOAD_CHIMU(Ptype)		\
+#define LOAD_CHIMU(ptype)		\
   {const SiteSpinor & ref (in[offset]);	\
     Chimu_00=ref()(0)(0);\
     Chimu_01=ref()(0)(1);\
@@ -110,10 +110,10 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 #define PERMUTE_DIR(dir)			\
   permute##dir(Chi_00,Chi_00);	\
-  permute##dir(Chi_01,Chi_01);			\
+      permute##dir(Chi_01,Chi_01);\
-  permute##dir(Chi_02,Chi_02);			\
+      permute##dir(Chi_02,Chi_02);\
       permute##dir(Chi_10,Chi_10);	\
-  permute##dir(Chi_11,Chi_11);			\
+      permute##dir(Chi_11,Chi_11);\
       permute##dir(Chi_12,Chi_12);
 
 #endif
@@ -371,11 +371,10 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   result_32-= UChi_12;
 
 #define HAND_STENCIL_LEGB(PROJ,PERM,DIR,RECON)	\
-  {int ptype;					\
   SE=st.GetEntry(ptype,DIR,ss);			\
-   auto offset = SE->_offset;			\
+  offset = SE->_offset;				\
-   auto local  = SE->_is_local;			\
+  local  = SE->_is_local;			\
-   auto perm   = SE->_permute;			\
+  perm   = SE->_permute;			\
   if ( local ) {				\
     LOAD_CHIMU(PERM);				\
     PROJ;					\
@@ -387,14 +386,14 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   }						\
   acceleratorSynchronise();			\
   MULT_2SPIN(DIR);				\
-   RECON;					}
+  RECON;					
 
 #define HAND_STENCIL_LEG(PROJ,PERM,DIR,RECON)	\
-  { SE=&st_p[DIR+8*ss];						\
+  SE=&st_p[DIR+8*ss];				\
-  auto ptype=st_perm[DIR];					\
+  ptype=st_perm[DIR];				\
-  auto offset = SE->_offset;					\
+  offset = SE->_offset;				\
-  auto local  = SE->_is_local;					\
+  local  = SE->_is_local;			\
-  auto perm   = SE->_permute;					\
+  perm   = SE->_permute;			\
   if ( local ) {				\
     LOAD_CHIMU(PERM);				\
     PROJ;					\
@@ -406,25 +405,24 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
   }						\
   acceleratorSynchronise();			\
   MULT_2SPIN(DIR);				\
-  RECON;					}
+  RECON;					
 
 #define HAND_STENCIL_LEGA(PROJ,PERM,DIR,RECON)				\
-  { SE=&st_p[DIR+8*ss];							\
+  SE=&st_p[DIR+8*ss];							\
-    auto ptype=st_perm[DIR];						\
+  ptype=st_perm[DIR];							\
  /*SE=st.GetEntry(ptype,DIR,ss);*/					\
-    auto offset = SE->_offset;						\
+  offset = SE->_offset;				\
-    auto perm   = SE->_permute;						\
+  perm   = SE->_permute;			\
   LOAD_CHIMU(PERM);				\
   PROJ;						\
   MULT_2SPIN(DIR);				\
-    RECON;					}
+  RECON;					
 
 #define HAND_STENCIL_LEG_INT(PROJ,PERM,DIR,RECON)	\
-  { int ptype;						\
   SE=st.GetEntry(ptype,DIR,ss);			\
-  auto offset = SE->_offset;					\
+  offset = SE->_offset;				\
-  auto local  = SE->_is_local;					\
+  local  = SE->_is_local;			\
-  auto perm   = SE->_permute;					\
+  perm   = SE->_permute;			\
   if ( local ) {				\
     LOAD_CHIMU(PERM);				\
     PROJ;					\
@@ -439,19 +437,18 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
     MULT_2SPIN(DIR);				\
     RECON;					\
   }						\
-  acceleratorSynchronise();			}
+  acceleratorSynchronise();			
 
 #define HAND_STENCIL_LEG_EXT(PROJ,PERM,DIR,RECON)	\
-  { int ptype;						\
   SE=st.GetEntry(ptype,DIR,ss);			\
-  auto offset = SE->_offset;				\
+  offset = SE->_offset;				\
   if((!SE->_is_local)&&(!st.same_node[DIR]) ) {	\
     LOAD_CHI;					\
     MULT_2SPIN(DIR);				\
     RECON;					\
     nmu++;					\
   }						\
-  acceleratorSynchronise();			}
+  acceleratorSynchronise();			
 
 #define HAND_RESULT(ss)				\
   {						\
@@ -566,6 +563,7 @@ WilsonKernels<Impl>::HandDhopSiteSycl(StencilVector st_perm,StencilEntry *st_p,
 
   HAND_DECLARATIONS(Simt);
 
+  int offset,local,perm, ptype;
   StencilEntry *SE;
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
@@ -595,7 +593,9 @@ WilsonKernels<Impl>::HandDhopSite(StencilView &st, DoubledGaugeFieldView &U,Site
 
   HAND_DECLARATIONS(Simt);
 
+  int offset,local,perm, ptype;
   StencilEntry *SE;
+
   HAND_STENCIL_LEG(XM_PROJ,3,Xp,XM_RECON);
   HAND_STENCIL_LEG(YM_PROJ,2,Yp,YM_RECON_ACCUM);
   HAND_STENCIL_LEG(ZM_PROJ,1,Zp,ZM_RECON_ACCUM);
@@ -623,6 +623,8 @@ void WilsonKernels<Impl>::HandDhopSiteDag(StencilView &st,DoubledGaugeFieldView
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
+  int offset,local,perm, ptype;
+  
   HAND_STENCIL_LEG(XP_PROJ,3,Xp,XP_RECON);
   HAND_STENCIL_LEG(YP_PROJ,2,Yp,YP_RECON_ACCUM);
   HAND_STENCIL_LEG(ZP_PROJ,1,Zp,ZP_RECON_ACCUM);
@@ -638,8 +640,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  //  auto st_p = st._entries_p;						
+  auto st_p = st._entries_p;						
-  //  auto st_perm = st._permute_type;					
+  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -650,6 +652,7 @@ WilsonKernels<Impl>::HandDhopSiteInt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
+  int offset,local,perm, ptype;
   StencilEntry *SE;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XM_PROJ,3,Xp,XM_RECON_ACCUM);
@@ -667,8 +670,8 @@ template<class Impl> accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  //  auto st_p = st._entries_p;						
+  auto st_p = st._entries_p;						
-  //  auto st_perm = st._permute_type;					
+  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -679,6 +682,7 @@ void WilsonKernels<Impl>::HandDhopSiteDagInt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
+  int offset,local,perm, ptype;
   ZERO_RESULT;
   HAND_STENCIL_LEG_INT(XP_PROJ,3,Xp,XP_RECON_ACCUM);
   HAND_STENCIL_LEG_INT(YP_PROJ,2,Yp,YP_RECON_ACCUM);
@@ -695,8 +699,8 @@ template<class Impl>  accelerator_inline void
 WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor  *buf,
 					  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  //  auto st_p = st._entries_p;						
+  auto st_p = st._entries_p;						
-  //  auto st_perm = st._permute_type;					
+  auto st_perm = st._permute_type;					
 // T==0, Z==1, Y==2, Z==3 expect 1,2,2,2 simd layout etc...
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
@@ -707,7 +711,7 @@ WilsonKernels<Impl>::HandDhopSiteExt(StencilView &st,DoubledGaugeFieldView &U,Si
 
   HAND_DECLARATIONS(Simt);
 
-  //  int offset, ptype;
+  int offset, ptype;
   StencilEntry *SE;
   int nmu=0;
   ZERO_RESULT;
@@ -726,8 +730,8 @@ template<class Impl>  accelerator_inline
 void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldView &U,SiteHalfSpinor *buf,
 						  int ss,int sU,const FermionFieldView &in, FermionFieldView &out)
 {
-  //  auto st_p = st._entries_p;						
+  auto st_p = st._entries_p;						
-  //  auto st_perm = st._permute_type;					
+  auto st_perm = st._permute_type;					
   typedef typename Simd::scalar_type S;
   typedef typename Simd::vector_type V;
   typedef decltype( coalescedRead( in[0]()(0)(0) )) Simt;
@@ -738,7 +742,7 @@ void WilsonKernels<Impl>::HandDhopSiteDagExt(StencilView &st,DoubledGaugeFieldVi
   HAND_DECLARATIONS(Simt);
 
   StencilEntry *SE;
-  //  int offset, ptype;
+  int offset, ptype;
   int nmu=0;
   ZERO_RESULT;
   HAND_STENCIL_LEG_EXT(XP_PROJ,3,Xp,XP_RECON_ACCUM);

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

@@ -1,41 +0,0 @@
-/*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid
-
-    Source file: ./lib/ qcd/action/fermion/instantiation/CompactWilsonCloverFermionInstantiation.cc.master
-
-    Copyright (C) 2017 - 2022
-
-    Author: paboyle <paboyle@ph.ed.ac.uk>
-    Author: Guido Cossu <guido.cossu@ed.ac.uk>
-    Author: Daniel Richtmann <daniel.richtmann@gmail.com>
-
-    This program is free software; you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation; either version 2 of the License, or
-    (at your option) any later version.
-
-    This program is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License along
-    with this program; if not, write to the Free Software Foundation, Inc.,
-    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
-
-    See the full license in the file "LICENSE" in the top level distribution directory
-    *************************************************************************************/
-/*  END LEGAL */
-
-#include <Grid/Grid.h>
-#include <Grid/qcd/spin/Dirac.h>
-#include <Grid/qcd/action/fermion/CompactWilsonCloverFermion.h>
-#include <Grid/qcd/action/fermion/implementation/CompactWilsonCloverFermionImplementation.h>
-
-NAMESPACE_BEGIN(Grid);
-
-#include "impl.h"
-template class CompactWilsonCloverFermion<IMPLEMENTATION>; 
-
-NAMESPACE_END(Grid);

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

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

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

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

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

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

Grid/qcd/action/filters/DDHMCFilter.h

@@ -1,102 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/hmc/integrators/DirichletFilter.h
-
-Copyright (C) 2015
-
-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);
-////////////////////////////////////////////////////
-// DDHMC filter with sub-block size B[mu]
-////////////////////////////////////////////////////
-
-template<typename GaugeField>
-struct DDHMCFilter: public MomentumFilterBase<GaugeField>
-{
-  Coordinate Block;
-  int Width;
-  
-  DDHMCFilter(const Coordinate &_Block,int _Width=2): Block(_Block) { Width=_Width; }
-
-  void applyFilter(GaugeField &U) const override
-  {
-    GridBase *grid = U.Grid();
-    Coordinate Global=grid->GlobalDimensions();
-    GaugeField zzz(grid); zzz = Zero();
-    LatticeInteger coor(grid); 
-    
-    auto zzz_mu = PeekIndex<LorentzIndex>(zzz,0);
-    ////////////////////////////////////////////////////
-    // Zero BDY layers
-    ////////////////////////////////////////////////////
-    std::cout<<GridLogMessage<<" DDHMC Force Filter Block "<<Block<<" width " <<Width<<std::endl;
-    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
-	////////////////////////////////
-	if ( Width==1) { 
-	  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);
-	}
-	if ( Width==2) { 
-	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
-	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
-	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
-	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
-	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
-	  U_mu = where(mod(coor,B1)==Integer(B1-3),zzz_mu,U_mu); 
-	  PokeIndex<LorentzIndex>(U, U_mu, mu);
-	}
-	if ( Width==3) { 
-	  U    = where(mod(coor,B1)==Integer(B1-3),zzz,U);
-	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
-	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
-	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
-	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
-	  U    = where(mod(coor,B1)==Integer(2)   ,zzz,U); 
-	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
-	  U_mu = where(mod(coor,B1)==Integer(B1-4),zzz_mu,U_mu); 
-	  PokeIndex<LorentzIndex>(U, U_mu, mu);
-	}
-      }
-
-    }
-   
-  }
-};
-
-NAMESPACE_END(Grid);
-

Grid/qcd/action/filters/DirichletFilter.h

@@ -1,71 +0,0 @@
-/*************************************************************************************
-
-Grid physics library, www.github.com/paboyle/Grid
-
-Source file: ./lib/qcd/hmc/integrators/DirichletFilter.h
-
-Copyright (C) 2015
-
-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<typename MomentaField>
-struct DirichletFilter: public MomentumFilterBase<MomentaField>
-{
-  typedef typename MomentaField::vector_type vector_type; //SIMD-vectorized complex type
-  typedef typename MomentaField::scalar_type scalar_type; //scalar complex type
-
-  typedef iScalar<iScalar<iScalar<vector_type> > >            ScalarType; //complex phase for each site
-  
-  Coordinate Block;
-  
-  DirichletFilter(const Coordinate &_Block): Block(_Block){}
-
-  void applyFilter(MomentaField &P) const override
-  {
-    GridBase *grid = P.Grid();
-    typedef decltype(PeekIndex<LorentzIndex>(P, 0)) LatCM;
-    ////////////////////////////////////////////////////
-    // Zero strictly links crossing between domains
-    ////////////////////////////////////////////////////
-    LatticeInteger coor(grid); 
-    LatCM zz(grid); zz = Zero();
-    for(int mu=0;mu<Nd;mu++) {
-      if ( (Block[mu]) && (Block[mu] < grid->GlobalDimensions()[mu] ) ) {
-	// If costly could provide Grid earlier and precompute masks
-	std::cout << " Dirichlet in mu="<<mu<<std::endl;
-	LatticeCoordinate(coor,mu);
-	auto P_mu = PeekIndex<LorentzIndex>(P, mu);
-	P_mu = where(mod(coor,Block[mu])==Integer(Block[mu]-1),zz,P_mu);
-	PokeIndex<LorentzIndex>(P, P_mu, mu);
-      }
-    }
-  }
-};
-
-
-
-NAMESPACE_END(Grid);
-

Grid/qcd/action/gauge/GaugeImplTypes.h

@@ -61,7 +61,7 @@ NAMESPACE_BEGIN(Grid);
   typedef typename Impl::Field Field;
 
 // hardcodes the exponential approximation in the template
-template <class S, int Nrepresentation = Nc, int Nexp = 12 > class GaugeImplTypes {
+template <class S, int Nrepresentation = Nc, int Nexp = 20 > class GaugeImplTypes {
 public:
   typedef S Simd;
   typedef typename Simd::scalar_type scalar_type;
@@ -78,8 +78,6 @@ public:
   typedef Lattice<SiteLink>    LinkField; 
   typedef Lattice<SiteField>   Field;
 
-  typedef SU<Nrepresentation> Group;
-
   // Guido: we can probably separate the types from the HMC functions
   // this will create 2 kind of implementations
   // probably confusing the users
@@ -120,7 +118,7 @@ public:
     LinkField Pmu(P.Grid());
     Pmu = Zero();
     for (int mu = 0; mu < Nd; mu++) {
-      Group::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
+      SU<Nrepresentation>::GaussianFundamentalLieAlgebraMatrix(pRNG, Pmu);
       RealD scale = ::sqrt(HMC_MOMENTUM_DENOMINATOR) ;
       Pmu = Pmu*scale;
       PokeIndex<LorentzIndex>(P, Pmu, mu);
@@ -161,15 +159,15 @@ public:
   }
 
   static inline void HotConfiguration(GridParallelRNG &pRNG, Field &U) {
-    Group::HotConfiguration(pRNG, U);
+    SU<Nc>::HotConfiguration(pRNG, U);
   }
 
   static inline void TepidConfiguration(GridParallelRNG &pRNG, Field &U) {
-    Group::TepidConfiguration(pRNG, U);
+    SU<Nc>::TepidConfiguration(pRNG, U);
   }
 
   static inline void ColdConfiguration(GridParallelRNG &pRNG, Field &U) {
-    Group::ColdConfiguration(pRNG, U);
+    SU<Nc>::ColdConfiguration(pRNG, U);
   }
 };
 

Grid/qcd/action/pseudofermion/Bounds.h

@@ -40,13 +40,66 @@ NAMESPACE_BEGIN(Grid);
       X=X-Y;
       RealD Nd = norm2(X);
       std::cout << "************************* "<<std::endl;
-      std::cout << " noise                         = "<<Nx<<std::endl;
+      std::cout << " | noise |^2                         = "<<Nx<<std::endl;
-      std::cout << " (MdagM^-1/2)^2  noise         = "<<Nz<<std::endl;
+      std::cout << " | (MdagM^-1/2)^2  noise |^2         = "<<Nz<<std::endl;
-      std::cout << " MdagM (MdagM^-1/2)^2  noise   = "<<Ny<<std::endl;
+      std::cout << " | MdagM (MdagM^-1/2)^2  noise |^2   = "<<Ny<<std::endl;
-      std::cout << " noise - MdagM (MdagM^-1/2)^2  noise   = "<<Nd<<std::endl;
+      std::cout << " | noise - MdagM (MdagM^-1/2)^2  noise |^2  = "<<Nd<<std::endl;
+      std::cout << " | noise - MdagM (MdagM^-1/2)^2  noise|/|noise| = " << std::sqrt(Nd/Nx) << std::endl;
       std::cout << "************************* "<<std::endl;
       assert( (std::sqrt(Nd/Nx)<tol) && " InverseSqrtBoundsCheck ");
     }
 
+    /* For a HermOp = M^dag M, check the approximation of  HermOp^{-1/inv_pow}
+       by computing   |X -    HermOp * [ Hermop^{-1/inv_pow} ]^{inv_pow} X|  < tol  
+       for noise X (aka GaussNoise).
+       ApproxNegPow should be the rational approximation for   X^{-1/inv_pow}
+    */
+    template<class Field> void InversePowerBoundsCheck(int inv_pow,
+						       int MaxIter,double tol,
+						       LinearOperatorBase<Field> &HermOp,
+						       Field &GaussNoise,
+						       MultiShiftFunction &ApproxNegPow) 
+    {
+      GridBase *FermionGrid = GaussNoise.Grid();
+
+      Field X(FermionGrid);
+      Field Y(FermionGrid);
+      Field Z(FermionGrid);
+
+      Field tmp1(FermionGrid), tmp2(FermionGrid);
+
+      X=GaussNoise;
+      RealD Nx = norm2(X);
+
+      ConjugateGradientMultiShift<Field> msCG(MaxIter,ApproxNegPow);
+
+      tmp1 = X;
+      
+      Field* in = &tmp1;
+      Field* out = &tmp2;
+      for(int i=0;i<inv_pow;i++){ //apply  [ Hermop^{-1/inv_pow}  ]^{inv_pow} X =   HermOp^{-1} X
+	msCG(HermOp, *in, *out); //backwards conventions!
+	if(i!=inv_pow-1) std::swap(in, out);
+      }
+      Z = *out;
+
+      RealD Nz = norm2(Z);
+
+      HermOp.HermOp(Z,Y);
+      RealD Ny = norm2(Y);
+
+      X=X-Y;
+      RealD Nd = norm2(X);
+      std::cout << "************************* "<<std::endl;
+      std::cout << " | noise |^2                         = "<<Nx<<std::endl;
+      std::cout << " | (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2        = "<<Nz<<std::endl;
+      std::cout << " | MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2   = "<<Ny<<std::endl;
+      std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2  = "<<Nd<<std::endl;
+      std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |/| noise |  = "<<std::sqrt(Nd/Nx)<<std::endl;
+      std::cout << "************************* "<<std::endl;
+      assert( (std::sqrt(Nd/Nx)<tol) && " InversePowerBoundsCheck ");
+    }
+
+
 NAMESPACE_END(Grid);
 

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h

@@ -0,0 +1,163 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundaryBoson.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  FermionField Phi; // the pseudo fermion field for this trajectory
+public:
+  DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), 
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_NumOp.FermionGrid()) {};
+
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag P^dag P phi}
+    //
+    // NumOp == P
+    //
+    // Take phi = P^{-1} eta  ; eta = P Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField eta(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    //DumpSliceNorm("eta",eta);
+    NumOp.RInv(eta,Phi);
+
+    //DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=ActionStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    FermionField Y(NumOp.FermionGrid());
+
+    NumOp.R(Phi,Y);
+
+    RealD action = norm2(Y);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.tolinner=InnerStoppingCondition;
+    NumOp.tol=DerivativeStoppingCondition;
+    NumOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.FermionGrid();
+    GridBase *ugrid = NumOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DoidP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+    
+    // P^dag P term
+    NumOp.dOmegaDagInv(P_Phi,DoidP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidP_Phi,tmp);
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourPseudoFermion.h

@@ -0,0 +1,158 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  RealD InnerStoppingCondition;
+
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+  RealD refresh_action;
+public:
+  DomainDecomposedBoundaryTwoFlavourPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol = 1.0e-6 )
+    : DenOp(_DenOp),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol),
+      InnerStoppingCondition(_InnerTol),
+      Phi(_DenOp.FermionGrid()) {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourPseudoFermion";}
+
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    // P(phi) = e^{- phi^dag Rdag^-1 R^-1 phi}
+    //
+    // DenOp == R
+    //
+    // Take phi = R eta  ; eta = R^-1 Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol     =ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField eta(DenOp.FermionGrid());
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    DenOp.ProjectBoundaryBar(eta);
+    DenOp.R(eta,Phi);
+    //DumpSliceNorm("Phi",Phi);
+    refresh_action = norm2(eta);
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Rdag^-1 R^-1 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=ActionStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    FermionField X(DenOp.FermionGrid());
+
+    DenOp.RInv(Phi,X);
+
+    RealD action = norm2(X);
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol=DerivativeStoppingCondition;
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = DenOp.FermionGrid();
+    GridBase *ugrid = DenOp.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DiDdb_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinv_Phi(fgrid);    // Vector D in my notes
+    FermionField Rinv_Phi(fgrid);
+
+//   FermionField RinvDagRinv_Phi(fgrid);
+//   FermionField DdbdDidRinv_Phi(fgrid);
+
+    // R^-1 term
+    DenOp.dBoundaryBar(Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdb_Phi);            // Vector C
+    Rinv_Phi = Phi - DiDdb_Phi;
+    DenOp.ProjectBoundaryBar(Rinv_Phi); 
+ 
+    // R^-dagger R^-1 term
+    DenOp.DinverseDag(Rinv_Phi,DidRinv_Phi); // Vector D
+/*
+    DenOp.dBoundaryBarDag(DidRinv_Phi,DdbdDidRinv_Phi);
+    RinvDagRinv_Phi = Rinv_Phi - DdbdDidRinv_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinv_Phi);
+*/
+    X = DiDdb_Phi;
+    Y = DidRinv_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+    DumpSliceNorm("force",dSdU);
+    dSdU *= -1.0;
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion.h

@@ -0,0 +1,237 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/DomainDecomposedTwoFlavourBoundary.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class ImplD,class ImplF>
+class DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion : public Action<typename ImplD::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(ImplD);
+
+private:
+  SchurFactoredFermionOperator<ImplD,ImplF> & NumOp;// the basic operator
+  SchurFactoredFermionOperator<ImplD,ImplF> & DenOp;// the basic operator
+
+  RealD InnerStoppingCondition;
+  RealD ActionStoppingCondition;
+  RealD DerivativeStoppingCondition;
+  
+  FermionField Phi; // the pseudo fermion field for this trajectory
+
+public:
+  DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion(SchurFactoredFermionOperator<ImplD,ImplF>  &_NumOp, 
+						       SchurFactoredFermionOperator<ImplD,ImplF>  &_DenOp,
+						       RealD _DerivativeTol, RealD _ActionTol, RealD _InnerTol=1.0e-6)
+    : NumOp(_NumOp), DenOp(_DenOp),
+      Phi(_NumOp.PeriodicFermOpD.FermionGrid()),
+      InnerStoppingCondition(_InnerTol),
+      DerivativeStoppingCondition(_DerivativeTol),
+      ActionStoppingCondition(_ActionTol)
+  {};
+      
+  virtual std::string action_name(){return "DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion";}
+ 
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    return sstream.str();
+  }  
+  
+  virtual void refresh(const GaugeField &U, GridSerialRNG& sRNG, GridParallelRNG& pRNG)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField eta(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField tmp(NumOp.PeriodicFermOpD.FermionGrid());
+
+    // P(phi) = e^{- phi^dag P^dag Rdag^-1 R^-1 P phi}
+    //
+    // NumOp == P
+    // DenOp == R
+    //
+    // Take phi = P^{-1} R eta  ; eta = R^-1 P Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    gaussian(pRNG,eta);    eta=eta*scale;
+    
+    NumOp.ProjectBoundaryBar(eta);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    DenOp.R(eta,tmp);
+    NumOp.RInv(tmp,Phi);
+    DumpSliceNorm("Phi",Phi);
+
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag Pdag Rdag^-1 R^-1 P phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField X(NumOp.PeriodicFermOpD.FermionGrid());
+    FermionField Y(NumOp.PeriodicFermOpD.FermionGrid());
+
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = ActionStoppingCondition;
+    NumOp.tol = ActionStoppingCondition;
+    NumOp.R(Phi,Y);
+    DenOp.RInv(Y,X);
+
+    RealD action = norm2(X);
+    //    std::cout << " DD boundary action is " <<action<<std::endl;
+
+    return action;
+  };
+
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU)
+  {
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    GridBase *fgrid = NumOp.PeriodicFermOpD.FermionGrid();
+    GridBase *ugrid = NumOp.PeriodicFermOpD.GaugeGrid();
+
+    FermionField  X(fgrid);
+    FermionField  Y(fgrid);
+    FermionField  tmp(fgrid);
+
+    GaugeField   force(ugrid);	
+
+    FermionField DobiDdbPhi(fgrid);      // Vector A in my notes
+    FermionField DoiDdDobiDdbPhi(fgrid); // Vector B in my notes
+    FermionField DiDdbP_Phi(fgrid);      // Vector C in my notes
+    FermionField DidRinvP_Phi(fgrid);    // Vector D in my notes
+    FermionField DdbdDidRinvP_Phi(fgrid);
+    FermionField DoidRinvDagRinvP_Phi(fgrid);    // Vector E in my notes
+    FermionField DobidDddDoidRinvDagRinvP_Phi(fgrid);    // Vector F in my notes
+    
+    FermionField P_Phi(fgrid);
+    FermionField RinvP_Phi(fgrid);
+    FermionField RinvDagRinvP_Phi(fgrid);
+    FermionField PdagRinvDagRinvP_Phi(fgrid);
+
+    //    RealD action = S(U);
+    NumOp.tolinner=InnerStoppingCondition;
+    DenOp.tolinner=InnerStoppingCondition;
+    DenOp.tol = DerivativeStoppingCondition;
+    NumOp.tol = DerivativeStoppingCondition;
+    
+    // P term
+    NumOp.dBoundaryBar(Phi,tmp);
+    NumOp.dOmegaBarInv(tmp,DobiDdbPhi);        // Vector A
+    NumOp.dBoundary(DobiDdbPhi,tmp);
+    NumOp.dOmegaInv(tmp,DoiDdDobiDdbPhi);      // Vector B
+    P_Phi  = Phi - DoiDdDobiDdbPhi;
+    NumOp.ProjectBoundaryBar(P_Phi);
+
+    // R^-1 P term
+    DenOp.dBoundaryBar(P_Phi,tmp);
+    DenOp.Dinverse(tmp,DiDdbP_Phi);            // Vector C
+    RinvP_Phi = P_Phi - DiDdbP_Phi;
+    DenOp.ProjectBoundaryBar(RinvP_Phi); // Correct to here
+
+ 
+    // R^-dagger R^-1 P term
+    DenOp.DinverseDag(RinvP_Phi,DidRinvP_Phi); // Vector D
+    DenOp.dBoundaryBarDag(DidRinvP_Phi,DdbdDidRinvP_Phi);
+    RinvDagRinvP_Phi = RinvP_Phi - DdbdDidRinvP_Phi;
+    DenOp.ProjectBoundaryBar(RinvDagRinvP_Phi);
+
+    
+    // P^dag R^-dagger R^-1 P term
+    NumOp.dOmegaDagInv(RinvDagRinvP_Phi,DoidRinvDagRinvP_Phi); // Vector E
+    NumOp.dBoundaryDag(DoidRinvDagRinvP_Phi,tmp);
+    NumOp.dOmegaBarDagInv(tmp,DobidDddDoidRinvDagRinvP_Phi);   // Vector F
+    NumOp.dBoundaryBarDag(DobidDddDoidRinvDagRinvP_Phi,tmp);
+    PdagRinvDagRinvP_Phi = RinvDagRinvP_Phi- tmp;
+    NumOp.ProjectBoundaryBar(PdagRinvDagRinvP_Phi);
+
+    /*
+    std::cout << "S eval  "<< action << std::endl;
+    std::cout << "S - IP1 "<< innerProduct(Phi,PdagRinvDagRinvP_Phi) << std::endl;
+    std::cout << "S - IP2 "<< norm2(RinvP_Phi) << std::endl;
+
+    NumOp.R(Phi,tmp);
+    tmp = tmp - P_Phi;
+    std::cout << "diff1 "<<norm2(tmp) <<std::endl;
+    
+    
+    DenOp.RInv(P_Phi,tmp);
+    tmp = tmp - RinvP_Phi;
+    std::cout << "diff2 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDagInv(RinvP_Phi,tmp);
+    tmp  = tmp - RinvDagRinvP_Phi;
+    std::cout << "diff3 "<<norm2(tmp) <<std::endl;
+
+    DenOp.RDag(RinvDagRinvP_Phi,tmp);
+    tmp  = tmp - PdagRinvDagRinvP_Phi;
+    std::cout << "diff4 "<<norm2(tmp) <<std::endl;
+    */
+    
+    dSdU=Zero();
+
+    X = DobiDdbPhi;
+    Y = DobidDddDoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DoiDdDobiDdbPhi;
+    Y = DoidRinvDagRinvP_Phi;
+    NumOp.DirichletFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    NumOp.DirichletFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    X = DiDdbP_Phi;
+    Y = DidRinvP_Phi;
+    DenOp.PeriodicFermOpD.MDeriv(force,Y,X,DaggerNo);    dSdU=dSdU+force;
+    DenOp.PeriodicFermOpD.MDeriv(force,X,Y,DaggerYes);   dSdU=dSdU+force;
+
+    dSdU *= -1.0;
+
+  };
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h

@@ -0,0 +1,372 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h
+
+    Copyright (C) 2015
+
+    Author: Christopher Kelly <ckelly@bnl.gov>
+    Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_H
+#define QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_H
+
+NAMESPACE_BEGIN(Grid);
+
+    /////////////////////////////////////////////////////////
+    // Generic rational approximation for ratios of operators
+    /////////////////////////////////////////////////////////
+
+    /* S_f = -log( det(  [M^dag M]/[V^dag V] )^{1/inv_pow}  )
+           = chi^dag ( [M^dag M]/[V^dag V] )^{-1/inv_pow} chi\
+	   = chi^dag ( [V^dag V]^{-1/2} [M^dag M] [V^dag V]^{-1/2} )^{-1/inv_pow} chi\
+	   = chi^dag [V^dag V]^{1/(2*inv_pow)} [M^dag M]^{-1/inv_pow} [V^dag V]^{1/(2*inv_pow)} chi\
+
+	   S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
+    
+       BIG WARNING:	   
+       Here V^dag V is referred to in this code as the "numerator" operator and M^dag M is the *denominator* operator.
+       this refers to their position in the pseudofermion action, which is the *inverse* of what appears in the determinant
+       Thus for DWF the numerator operator is the Pauli-Villars operator
+
+       Here P/Q \sim R_{1/(2*inv_pow)}  ~ (V^dagV)^{1/(2*inv_pow)}  
+       Here N/D \sim R_{-1/inv_pow} ~ (M^dagM)^{-1/inv_pow}  
+    */
+      
+    template<class Impl>
+    class GeneralEvenOddRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
+    public:
+
+      INHERIT_IMPL_TYPES(Impl);
+
+      typedef RationalActionParams Params;
+      Params param;
+
+      //For action evaluation
+      MultiShiftFunction ApproxPowerAction   ;  //rational approx for X^{1/inv_pow}
+      MultiShiftFunction ApproxNegPowerAction;  //rational approx for X^{-1/inv_pow}
+      MultiShiftFunction ApproxHalfPowerAction;   //rational approx for X^{1/(2*inv_pow)}
+      MultiShiftFunction ApproxNegHalfPowerAction; //rational approx for X^{-1/(2*inv_pow)}
+
+      //For the MD integration
+      MultiShiftFunction ApproxPowerMD   ;  //rational approx for X^{1/inv_pow}
+      MultiShiftFunction ApproxNegPowerMD;  //rational approx for X^{-1/inv_pow}
+      MultiShiftFunction ApproxHalfPowerMD;   //rational approx for X^{1/(2*inv_pow)}
+      MultiShiftFunction ApproxNegHalfPowerMD; //rational approx for X^{-1/(2*inv_pow)}
+
+    private:
+     
+      FermionOperator<Impl> & NumOp;// the basic operator
+      FermionOperator<Impl> & DenOp;// the basic operator
+      FermionField PhiEven; // the pseudo fermion field for this trajectory
+      FermionField PhiOdd; // the pseudo fermion field for this trajectory
+
+      //Generate the approximation to x^{1/inv_pow} (->approx)   and x^{-1/inv_pow} (-> approx_inv)  by an approx_degree degree rational approximation
+      //CG_tolerance is used to issue a warning if the approximation error is larger than the tolerance of the CG and is otherwise just stored in the MultiShiftFunction for use by the multi-shift
+      static void generateApprox(MultiShiftFunction &approx, MultiShiftFunction &approx_inv, int inv_pow, int approx_degree, double CG_tolerance, AlgRemez &remez){
+	std::cout<<GridLogMessage << "Generating degree "<< approx_degree<<" approximation for x^(1/" << inv_pow << ")"<<std::endl;
+	double error = remez.generateApprox(approx_degree,1,inv_pow);	
+	if(error > CG_tolerance)
+	  std::cout<<GridLogMessage << "WARNING: Remez approximation has a larger error " << error << " than the CG tolerance " << CG_tolerance << "! Try increasing the number of poles" << std::endl;
+	
+	approx.Init(remez, CG_tolerance,false);
+	approx_inv.Init(remez, CG_tolerance,true);
+      }
+
+
+    protected:
+      static constexpr bool Numerator = true;
+      static constexpr bool Denominator = false;
+
+      //Allow derived classes to override the multishift CG
+      virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionField &in, FermionField &out){
+	SchurDifferentiableOperator<Impl> schurOp(numerator ? NumOp : DenOp);
+	ConjugateGradientMultiShift<FermionField> msCG(MaxIter, approx);
+	msCG(schurOp,in, out);
+      }
+      virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionField &in, std::vector<FermionField> &out_elems, FermionField &out){
+	SchurDifferentiableOperator<Impl> schurOp(numerator ? NumOp : DenOp);
+	ConjugateGradientMultiShift<FermionField> msCG(MaxIter, approx);
+	msCG(schurOp,in, out_elems, out);
+      }
+      //Allow derived classes to override the gauge import
+      virtual void ImportGauge(const GaugeField &U){
+	NumOp.ImportGauge(U);
+	DenOp.ImportGauge(U);
+      }
+      
+    public:
+
+      GeneralEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+						     FermionOperator<Impl>  &_DenOp, 
+						     const Params & p
+						     ) : 
+	NumOp(_NumOp), 
+	DenOp(_DenOp), 
+	PhiOdd (_NumOp.FermionRedBlackGrid()),
+	PhiEven(_NumOp.FermionRedBlackGrid()),
+	param(p) 
+      {
+	std::cout<<GridLogMessage << action_name() << " initialize: starting" << std::endl;
+	AlgRemez remez(param.lo,param.hi,param.precision);
+
+	//Generate approximations for action eval
+	generateApprox(ApproxPowerAction, ApproxNegPowerAction, param.inv_pow, param.action_degree, param.action_tolerance, remez);
+	generateApprox(ApproxHalfPowerAction, ApproxNegHalfPowerAction, 2*param.inv_pow, param.action_degree, param.action_tolerance, remez);
+
+	//Generate approximations for MD
+	if(param.md_degree != param.action_degree){ //note the CG tolerance is unrelated to the stopping condition of the Remez algorithm
+	  generateApprox(ApproxPowerMD, ApproxNegPowerMD, param.inv_pow, param.md_degree, param.md_tolerance, remez);
+	  generateApprox(ApproxHalfPowerMD, ApproxNegHalfPowerMD, 2*param.inv_pow, param.md_degree, param.md_tolerance, remez);
+	}else{
+	  std::cout<<GridLogMessage << "Using same rational approximations for MD as for action evaluation" << std::endl;
+	  ApproxPowerMD = ApproxPowerAction; 
+	  ApproxNegPowerMD = ApproxNegPowerAction;
+	  for(int i=0;i<ApproxPowerMD.tolerances.size();i++)
+	    ApproxNegPowerMD.tolerances[i] = ApproxPowerMD.tolerances[i] = param.md_tolerance; //used for multishift
+
+	  ApproxHalfPowerMD = ApproxHalfPowerAction;
+	  ApproxNegHalfPowerMD = ApproxNegHalfPowerAction;
+	  for(int i=0;i<ApproxPowerMD.tolerances.size();i++)
+	    ApproxNegHalfPowerMD.tolerances[i] = ApproxHalfPowerMD.tolerances[i] = param.md_tolerance;
+	}
+
+	std::cout<<GridLogMessage << action_name() << " initialize: complete" << std::endl;
+      };
+
+      virtual std::string action_name(){return "GeneralEvenOddRatioRationalPseudoFermionAction";}
+
+      virtual std::string LogParameters(){
+	std::stringstream sstream;
+	sstream << GridLogMessage << "["<<action_name()<<"] Power              : 1/" << param.inv_pow <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Low                :" << param.lo <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] High               :" << param.hi <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Max iterations     :" << param.MaxIter <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Tolerance (Action) :" << param.action_tolerance <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Degree (Action)    :" << param.action_degree <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Tolerance (MD)     :" << param.md_tolerance <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Degree (MD)        :" << param.md_degree <<  std::endl;
+	sstream << GridLogMessage << "["<<action_name()<<"] Precision          :" << param.precision <<  std::endl;
+	return sstream.str();
+      }
+
+      //Access the fermion field
+      const FermionField &getPhiOdd() const{ return PhiOdd; }
+      
+      virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+	std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
+	FermionField eta(NumOp.FermionGrid());	
+
+	// P(eta) \propto e^{- eta^dag eta}
+	//	
+	// The gaussian function draws from  P(x) \propto e^{- x^2 / 2 }    [i.e. sigma=1]
+	// Thus eta = x/sqrt{2} = x * sqrt(1/2)
+	RealD scale = std::sqrt(0.5);
+	gaussian(pRNG,eta);	eta=eta*scale;
+
+	refresh(U,eta);
+      }
+
+      //Allow for manual specification of random field for testing
+      void refresh(const GaugeField &U, const FermionField &eta) {
+
+	// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
+	//
+	// P(phi) = e^{- phi^dag (VdagV)^1/(2*inv_pow) (MdagM)^-1/inv_pow (VdagV)^1/(2*inv_pow) phi}
+	//        = e^{- phi^dag  (VdagV)^1/(2*inv_pow) (MdagM)^-1/(2*inv_pow) (MdagM)^-1/(2*inv_pow)  (VdagV)^1/(2*inv_pow) phi}
+	//
+	// Phi =  (VdagV)^-1/(2*inv_pow) Mdag^{1/(2*inv_pow)} eta 
+	
+	std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
+
+	FermionField etaOdd (NumOp.FermionRedBlackGrid());
+	FermionField etaEven(NumOp.FermionRedBlackGrid());
+	FermionField     tmp(NumOp.FermionRedBlackGrid());
+
+	pickCheckerboard(Even,etaEven,eta);
+	pickCheckerboard(Odd,etaOdd,eta);
+
+	ImportGauge(U);
+
+	// MdagM^1/(2*inv_pow) eta
+	std::cout<<GridLogMessage << action_name() << " refresh: doing (M^dag M)^{1/" << 2*param.inv_pow << "} eta" << std::endl;
+	multiShiftInverse(Denominator, ApproxHalfPowerAction, param.MaxIter, etaOdd, tmp);
+
+	// VdagV^-1/(2*inv_pow) MdagM^1/(2*inv_pow) eta
+	std::cout<<GridLogMessage << action_name() << " refresh: doing (V^dag V)^{-1/" << 2*param.inv_pow << "} ( (M^dag M)^{1/" << 2*param.inv_pow << "} eta)" << std::endl;
+	multiShiftInverse(Numerator, ApproxNegHalfPowerAction, param.MaxIter, tmp, PhiOdd);
+		
+	assert(NumOp.ConstEE() == 1);
+	assert(DenOp.ConstEE() == 1);
+	PhiEven = Zero();
+	std::cout<<GridLogMessage << action_name() << " refresh: starting" << std::endl;
+      };
+
+      //////////////////////////////////////////////////////
+      // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
+      //////////////////////////////////////////////////////
+      virtual RealD S(const GaugeField &U) {
+	std::cout<<GridLogMessage << action_name() << " compute action: starting" << std::endl;
+	ImportGauge(U);
+
+	FermionField X(NumOp.FermionRedBlackGrid());
+	FermionField Y(NumOp.FermionRedBlackGrid());
+
+	// VdagV^1/(2*inv_pow) Phi
+	std::cout<<GridLogMessage << action_name() << " compute action: doing (V^dag V)^{1/" << 2*param.inv_pow << "} Phi" << std::endl;
+	multiShiftInverse(Numerator, ApproxHalfPowerAction, param.MaxIter, PhiOdd,X);
+
+	// MdagM^-1/(2*inv_pow) VdagV^1/(2*inv_pow) Phi
+	std::cout<<GridLogMessage << action_name() << " compute action: doing (M^dag M)^{-1/" << 2*param.inv_pow << "} ( (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
+	multiShiftInverse(Denominator, ApproxNegHalfPowerAction, param.MaxIter, X,Y);
+
+	// Randomly apply rational bounds checks.
+	int rcheck = rand();
+	auto grid = NumOp.FermionGrid();
+        auto r=rand();
+        grid->Broadcast(0,r);
+
+	if ( param.BoundsCheckFreq != 0 && (r % param.BoundsCheckFreq)==0 ) { 
+	  std::cout<<GridLogMessage << action_name() << " compute action: doing bounds check" << std::endl;
+	  FermionField gauss(NumOp.FermionRedBlackGrid());
+	  gauss = PhiOdd;
+	  SchurDifferentiableOperator<Impl> MdagM(DenOp);
+	  std::cout<<GridLogMessage << action_name() << " compute action: checking high bounds" << std::endl;
+	  HighBoundCheck(MdagM,gauss,param.hi);
+	  std::cout<<GridLogMessage << action_name() << " compute action: full approximation" << std::endl;
+	  InversePowerBoundsCheck(param.inv_pow,param.MaxIter,param.action_tolerance*100,MdagM,gauss,ApproxNegPowerAction);
+	  std::cout<<GridLogMessage << action_name() << " compute action: bounds check complete" << std::endl;
+	}
+
+	//  Phidag VdagV^1/(2*inv_pow) MdagM^-1/(2*inv_pow)  MdagM^-1/(2*inv_pow) VdagV^1/(2*inv_pow) Phi
+	RealD action = norm2(Y);
+	std::cout<<GridLogMessage << action_name() << " compute action: complete" << std::endl;
+
+	return action;
+      };
+
+      // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
+      //
+      // Here, M is some 5D operator and V is the Pauli-Villars field
+      // N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the denom term
+      //
+      // Need  
+      // dS_f/dU =  chi^dag d[P/Q]  N/D   P/Q  chi 
+      //         +  chi^dag   P/Q d[N/D]  P/Q  chi 
+      //         +  chi^dag   P/Q   N/D d[P/Q] chi 
+      //
+      // P/Q is expressed as partial fraction expansion: 
+      // 
+      //           a0 + \sum_k ak/(V^dagV + bk) 
+      //  
+      // d[P/Q] is then  
+      //
+      //          \sum_k -ak [V^dagV+bk]^{-1}  [ dV^dag V + V^dag dV ] [V^dag V + bk]^{-1} 
+      //  
+      // and similar for N/D. 
+      // 
+      // Need   
+      //       MpvPhi_k   = [Vdag V + bk]^{-1} chi  
+      //       MpvPhi     = {a0 +  \sum_k ak [Vdag V + bk]^{-1} }chi   
+      //   
+      //       MfMpvPhi_k = [MdagM+bk]^{-1} MpvPhi  
+      //       MfMpvPhi   = {a0 +  \sum_k ak [Mdag M + bk]^{-1} } MpvPhi
+      // 
+      //       MpvMfMpvPhi_k = [Vdag V + bk]^{-1} MfMpvchi   
+      //  
+
+      virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+	std::cout<<GridLogMessage << action_name() << " deriv: starting" << std::endl;
+	const int n_f  = ApproxNegPowerMD.poles.size();
+	const int n_pv = ApproxHalfPowerMD.poles.size();
+
+	std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionRedBlackGrid());
+	std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionRedBlackGrid());
+	std::vector<FermionField> MfMpvPhi_k   (n_f ,NumOp.FermionRedBlackGrid());
+
+	FermionField      MpvPhi(NumOp.FermionRedBlackGrid());
+	FermionField    MfMpvPhi(NumOp.FermionRedBlackGrid());
+	FermionField MpvMfMpvPhi(NumOp.FermionRedBlackGrid());
+	FermionField           Y(NumOp.FermionRedBlackGrid());
+
+	GaugeField   tmp(NumOp.GaugeGrid());
+
+	ImportGauge(U);
+
+	std::cout<<GridLogMessage << action_name() << " deriv: doing (V^dag V)^{1/" << 2*param.inv_pow << "} Phi" << std::endl;
+	multiShiftInverse(Numerator, ApproxHalfPowerMD, param.MaxIter, PhiOdd,MpvPhi_k,MpvPhi);
+
+	std::cout<<GridLogMessage << action_name() << " deriv: doing (M^dag M)^{-1/" << param.inv_pow << "} ( (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
+	multiShiftInverse(Denominator, ApproxNegPowerMD, param.MaxIter, MpvPhi,MfMpvPhi_k,MfMpvPhi);
+
+	std::cout<<GridLogMessage << action_name() << " deriv: doing (V^dag V)^{1/" << 2*param.inv_pow << "} ( (M^dag M)^{-1/" << param.inv_pow << "} (V^dag V)^{1/" << 2*param.inv_pow << "} Phi)" << std::endl;
+	multiShiftInverse(Numerator, ApproxHalfPowerMD, param.MaxIter, MfMpvPhi,MpvMfMpvPhi_k,MpvMfMpvPhi);
+		
+
+	SchurDifferentiableOperator<Impl> MdagM(DenOp);
+	SchurDifferentiableOperator<Impl> VdagV(NumOp);
+
+
+	RealD ak;
+
+	dSdU = Zero();
+
+	// With these building blocks  
+	//  
+	//       dS/dU = 
+	//                 \sum_k -ak MfMpvPhi_k^dag      [ dM^dag M + M^dag dM ] MfMpvPhi_k         (1)
+	//             +   \sum_k -ak MpvMfMpvPhi_k^\dag  [ dV^dag V + V^dag dV ] MpvPhi_k           (2)
+	//                        -ak MpvPhi_k^dag        [ dV^dag V + V^dag dV ] MpvMfMpvPhi_k      (3)
+
+	//(1)	
+	std::cout<<GridLogMessage << action_name() << " deriv: doing dS/dU part (1)" << std::endl;
+	for(int k=0;k<n_f;k++){
+	  ak = ApproxNegPowerMD.residues[k];
+	  MdagM.Mpc(MfMpvPhi_k[k],Y);
+	  MdagM.MpcDagDeriv(tmp , MfMpvPhi_k[k], Y );  dSdU=dSdU+ak*tmp;
+	  MdagM.MpcDeriv(tmp , Y, MfMpvPhi_k[k] );  dSdU=dSdU+ak*tmp;
+	}
+	
+	//(2)
+	//(3)
+	std::cout<<GridLogMessage << action_name() << " deriv: doing dS/dU part (2)+(3)" << std::endl;
+	for(int k=0;k<n_pv;k++){
+
+          ak = ApproxHalfPowerMD.residues[k];
+	  
+	  VdagV.Mpc(MpvPhi_k[k],Y);
+	  VdagV.MpcDagDeriv(tmp,MpvMfMpvPhi_k[k],Y); dSdU=dSdU+ak*tmp;
+	  VdagV.MpcDeriv   (tmp,Y,MpvMfMpvPhi_k[k]);  dSdU=dSdU+ak*tmp;     
+	  
+	  VdagV.Mpc(MpvMfMpvPhi_k[k],Y);                // V as we take Ydag 
+	  VdagV.MpcDeriv   (tmp,Y, MpvPhi_k[k]); dSdU=dSdU+ak*tmp;
+	  VdagV.MpcDagDeriv(tmp,MpvPhi_k[k], Y); dSdU=dSdU+ak*tmp;
+
+	}
+
+	//dSdU = Ta(dSdU);
+	std::cout<<GridLogMessage << action_name() << " deriv: complete" << std::endl;
+      };
+    };
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h

@@ -0,0 +1,93 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h
+
+    Copyright (C) 2015
+
+    Author: Christopher Kelly <ckelly@bnl.gov>
+    Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#ifndef QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_MIXED_PREC_H
+#define QCD_PSEUDOFERMION_GENERAL_EVEN_ODD_RATIONAL_RATIO_MIXED_PREC_H
+
+NAMESPACE_BEGIN(Grid);
+
+    /////////////////////////////////////////////////////////////////////////////////////////////////////////////
+    // Generic rational approximation for ratios of operators utilizing the mixed precision multishift algorithm
+    // cf. GeneralEvenOddRational.h for details
+    /////////////////////////////////////////////////////////////////////////////////////////////////////////////
+      
+    template<class ImplD, class ImplF>
+    class GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<ImplD> {
+    private:
+      typedef typename ImplD::FermionField FermionFieldD;
+      typedef typename ImplF::FermionField FermionFieldF;
+
+      FermionOperator<ImplD> & NumOpD;
+      FermionOperator<ImplD> & DenOpD;
+     
+      FermionOperator<ImplF> & NumOpF;
+      FermionOperator<ImplF> & DenOpF;
+
+      Integer ReliableUpdateFreq;
+    protected:
+
+      //Allow derived classes to override the multishift CG
+      virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, FermionFieldD &out){
+	SchurDifferentiableOperator<ImplD> schurOpD(numerator ? NumOpD : DenOpD);
+	SchurDifferentiableOperator<ImplF> schurOpF(numerator ? NumOpF : DenOpF);
+
+	ConjugateGradientMultiShiftMixedPrec<FermionFieldD, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
+	msCG(schurOpD, in, out);
+      }
+      virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, std::vector<FermionFieldD> &out_elems, FermionFieldD &out){
+	SchurDifferentiableOperator<ImplD> schurOpD(numerator ? NumOpD : DenOpD);
+	SchurDifferentiableOperator<ImplF> schurOpF(numerator ? NumOpF : DenOpF);
+
+	ConjugateGradientMultiShiftMixedPrec<FermionFieldD, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
+	msCG(schurOpD, in, out_elems, out);
+      }
+      //Allow derived classes to override the gauge import
+      virtual void ImportGauge(const typename ImplD::GaugeField &Ud){
+	typename ImplF::GaugeField Uf(NumOpF.GaugeGrid());
+	precisionChange(Uf, Ud);
+	
+	NumOpD.ImportGauge(Ud);
+	DenOpD.ImportGauge(Ud);
+
+	NumOpF.ImportGauge(Uf);
+	DenOpF.ImportGauge(Uf);
+      }
+      
+    public:
+      GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction(FermionOperator<ImplD>  &_NumOpD, FermionOperator<ImplD>  &_DenOpD, 
+							      FermionOperator<ImplF>  &_NumOpF, FermionOperator<ImplF>  &_DenOpF, 
+							      const RationalActionParams & p, Integer _ReliableUpdateFreq
+							      ) : GeneralEvenOddRatioRationalPseudoFermionAction<ImplD>(_NumOpD, _DenOpD, p),
+								  ReliableUpdateFreq(_ReliableUpdateFreq), NumOpD(_NumOpD), DenOpD(_DenOpD), NumOpF(_NumOpF), DenOpF(_DenOpF){}
+      
+      virtual std::string action_name(){return "GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction";}
+    };
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h

@@ -40,249 +40,31 @@ NAMESPACE_BEGIN(Grid);
     // Here N/D \sim R_{-1/2} ~ (M^dagM)^{-1/2}  
   
     template<class Impl>
-    class OneFlavourEvenOddRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
+    class OneFlavourEvenOddRatioRationalPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<Impl> {
     public:
-
-      INHERIT_IMPL_TYPES(Impl);
-
       typedef OneFlavourRationalParams Params;
-      Params param;
-
-      MultiShiftFunction PowerHalf   ;
-      MultiShiftFunction PowerNegHalf;
-      MultiShiftFunction PowerQuarter;
-      MultiShiftFunction PowerNegQuarter;
-
     private:
-     
+      static RationalActionParams transcribe(const Params &in){
-      FermionOperator<Impl> & NumOp;// the basic operator
+	RationalActionParams out;
-      FermionOperator<Impl> & DenOp;// the basic operator
+	out.inv_pow = 2;
-      FermionField PhiEven; // the pseudo fermion field for this trajectory
+	out.lo = in.lo;
-      FermionField PhiOdd; // the pseudo fermion field for this trajectory
+	out.hi = in.hi;
+	out.MaxIter = in.MaxIter;
+	out.action_tolerance = out.md_tolerance = in.tolerance;
+	out.action_degree = out.md_degree = in.degree;
+	out.precision = in.precision;
+	out.BoundsCheckFreq = in.BoundsCheckFreq;
+	return out;
+      }
 
     public:
-
       OneFlavourEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
 							FermionOperator<Impl>  &_DenOp, 
-					    Params & p
+							const Params & p
 							) : 
-      NumOp(_NumOp), 
+	GeneralEvenOddRatioRationalPseudoFermionAction<Impl>(_NumOp, _DenOp, transcribe(p)){}
-      DenOp(_DenOp), 
-      PhiOdd (_NumOp.FermionRedBlackGrid()),
-      PhiEven(_NumOp.FermionRedBlackGrid()),
-      param(p) 
-      {
-	AlgRemez remez(param.lo,param.hi,param.precision);
-
-	// MdagM^(+- 1/2)
-	std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/2)"<<std::endl;
-	remez.generateApprox(param.degree,1,2);
-	PowerHalf.Init(remez,param.tolerance,false);
-	PowerNegHalf.Init(remez,param.tolerance,true);
-
-	// MdagM^(+- 1/4)
-	std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/4)"<<std::endl;
-	remez.generateApprox(param.degree,1,4);
-   	PowerQuarter.Init(remez,param.tolerance,false);
-	PowerNegQuarter.Init(remez,param.tolerance,true);
-      };
 
       virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}      
-
-      virtual std::string LogParameters(){
-	std::stringstream sstream;
-	sstream << GridLogMessage << "["<<action_name()<<"] Low            :" << param.lo <<  std::endl;
-	sstream << GridLogMessage << "["<<action_name()<<"] High           :" << param.hi <<  std::endl;
-	sstream << GridLogMessage << "["<<action_name()<<"] Max iterations :" << param.MaxIter <<  std::endl;
-	sstream << GridLogMessage << "["<<action_name()<<"] Tolerance      :" << param.tolerance <<  std::endl;
-	sstream << GridLogMessage << "["<<action_name()<<"] Degree         :" << param.degree <<  std::endl;
-	sstream << GridLogMessage << "["<<action_name()<<"] Precision      :" << param.precision <<  std::endl;
-	return sstream.str();
-      }
-      
-      
-      virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
-
-	// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
-	//
-	// P(phi) = e^{- phi^dag (VdagV)^1/4 (MdagM)^-1/2 (VdagV)^1/4 phi}
-	//        = e^{- phi^dag  (VdagV)^1/4 (MdagM)^-1/4 (MdagM)^-1/4  (VdagV)^1/4 phi}
-	//
-	// Phi =  (VdagV)^-1/4 Mdag^{1/4} eta 
-	//
-	// P(eta) = e^{- eta^dag eta}
-	//
-	// e^{x^2/2 sig^2} => sig^2 = 0.5.
-	// 
-	// So eta should be of width sig = 1/sqrt(2).
-
-	RealD scale = std::sqrt(0.5);
-
-	FermionField eta(NumOp.FermionGrid());
-	FermionField etaOdd (NumOp.FermionRedBlackGrid());
-	FermionField etaEven(NumOp.FermionRedBlackGrid());
-	FermionField     tmp(NumOp.FermionRedBlackGrid());
-
-	gaussian(pRNG,eta);	eta=eta*scale;
-
-	pickCheckerboard(Even,etaEven,eta);
-	pickCheckerboard(Odd,etaOdd,eta);
-
-	NumOp.ImportGauge(U);
-	DenOp.ImportGauge(U);
-
-
-	// MdagM^1/4 eta
-	SchurDifferentiableOperator<Impl> MdagM(DenOp);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerQuarter);
-	msCG_M(MdagM,etaOdd,tmp);
-
-	// VdagV^-1/4 MdagM^1/4 eta
-	SchurDifferentiableOperator<Impl> VdagV(NumOp);
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerNegQuarter);
-	msCG_V(VdagV,tmp,PhiOdd);
-
-	assert(NumOp.ConstEE() == 1);
-	assert(DenOp.ConstEE() == 1);
-	PhiEven = Zero();
-	
-      };
-
-      //////////////////////////////////////////////////////
-      // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
-      //////////////////////////////////////////////////////
-      virtual RealD S(const GaugeField &U) {
-
-	NumOp.ImportGauge(U);
-	DenOp.ImportGauge(U);
-
-	FermionField X(NumOp.FermionRedBlackGrid());
-	FermionField Y(NumOp.FermionRedBlackGrid());
-
-	// VdagV^1/4 Phi
-	SchurDifferentiableOperator<Impl> VdagV(NumOp);
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
-	msCG_V(VdagV,PhiOdd,X);
-
-	// MdagM^-1/4 VdagV^1/4 Phi
-	SchurDifferentiableOperator<Impl> MdagM(DenOp);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegQuarter);
-	msCG_M(MdagM,X,Y);
-
-	// Randomly apply rational bounds checks.
-	auto grid = NumOp.FermionGrid();
-        auto r=rand();
-        grid->Broadcast(0,r);
-        if ( (r%param.BoundsCheckFreq)==0 ) { 
-	  FermionField gauss(NumOp.FermionRedBlackGrid());
-	  gauss = PhiOdd;
-	  HighBoundCheck(MdagM,gauss,param.hi);
-	  InverseSqrtBoundsCheck(param.MaxIter,param.tolerance*100,MdagM,gauss,PowerNegHalf);
-	}
-
-	//  Phidag VdagV^1/4 MdagM^-1/4  MdagM^-1/4 VdagV^1/4 Phi
-	RealD action = norm2(Y);
-
-	return action;
-      };
-
-      // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
-      //
-      // Here, M is some 5D operator and V is the Pauli-Villars field
-      // N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the denom term
-      //
-      // Need  
-      // dS_f/dU =  chi^dag d[P/Q]  N/D   P/Q  chi 
-      //         +  chi^dag   P/Q d[N/D]  P/Q  chi 
-      //         +  chi^dag   P/Q   N/D d[P/Q] chi 
-      //
-      // P/Q is expressed as partial fraction expansion: 
-      // 
-      //           a0 + \sum_k ak/(V^dagV + bk) 
-      //  
-      // d[P/Q] is then  
-      //
-      //          \sum_k -ak [V^dagV+bk]^{-1}  [ dV^dag V + V^dag dV ] [V^dag V + bk]^{-1} 
-      //  
-      // and similar for N/D. 
-      // 
-      // Need   
-      //       MpvPhi_k   = [Vdag V + bk]^{-1} chi  
-      //       MpvPhi     = {a0 +  \sum_k ak [Vdag V + bk]^{-1} }chi   
-      //   
-      //       MfMpvPhi_k = [MdagM+bk]^{-1} MpvPhi  
-      //       MfMpvPhi   = {a0 +  \sum_k ak [Mdag M + bk]^{-1} } MpvPhi
-      // 
-      //       MpvMfMpvPhi_k = [Vdag V + bk]^{-1} MfMpvchi   
-      //  
-
-      virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
-
-	const int n_f  = PowerNegHalf.poles.size();
-	const int n_pv = PowerQuarter.poles.size();
-
-	std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionRedBlackGrid());
-	std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionRedBlackGrid());
-	std::vector<FermionField> MfMpvPhi_k   (n_f ,NumOp.FermionRedBlackGrid());
-
-	FermionField      MpvPhi(NumOp.FermionRedBlackGrid());
-	FermionField    MfMpvPhi(NumOp.FermionRedBlackGrid());
-	FermionField MpvMfMpvPhi(NumOp.FermionRedBlackGrid());
-	FermionField           Y(NumOp.FermionRedBlackGrid());
-
-	GaugeField   tmp(NumOp.GaugeGrid());
-
-	NumOp.ImportGauge(U);
-	DenOp.ImportGauge(U);
-
-	SchurDifferentiableOperator<Impl> VdagV(NumOp);
-	SchurDifferentiableOperator<Impl> MdagM(DenOp);
-
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);
-
-	msCG_V(VdagV,PhiOdd,MpvPhi_k,MpvPhi);
-	msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
-	msCG_V(VdagV,MfMpvPhi,MpvMfMpvPhi_k,MpvMfMpvPhi);
-
-	RealD ak;
-
-	dSdU = Zero();
-
-	// With these building blocks  
-	//  
-	//       dS/dU = 
-	//                 \sum_k -ak MfMpvPhi_k^dag      [ dM^dag M + M^dag dM ] MfMpvPhi_k         (1)
-	//             +   \sum_k -ak MpvMfMpvPhi_k^\dag  [ dV^dag V + V^dag dV ] MpvPhi_k           (2)
-	//                        -ak MpvPhi_k^dag        [ dV^dag V + V^dag dV ] MpvMfMpvPhi_k      (3)
-
-	//(1)
-	for(int k=0;k<n_f;k++){
-	  ak = PowerNegHalf.residues[k];
-	  MdagM.Mpc(MfMpvPhi_k[k],Y);
-	  MdagM.MpcDagDeriv(tmp , MfMpvPhi_k[k], Y );  dSdU=dSdU+ak*tmp;
-	  MdagM.MpcDeriv(tmp , Y, MfMpvPhi_k[k] );  dSdU=dSdU+ak*tmp;
-	}
-	
-	//(2)
-	//(3)
-	for(int k=0;k<n_pv;k++){
-
-          ak = PowerQuarter.residues[k];
-	  
-	  VdagV.Mpc(MpvPhi_k[k],Y);
-	  VdagV.MpcDagDeriv(tmp,MpvMfMpvPhi_k[k],Y); dSdU=dSdU+ak*tmp;
-	  VdagV.MpcDeriv   (tmp,Y,MpvMfMpvPhi_k[k]);  dSdU=dSdU+ak*tmp;     
-	  
-	  VdagV.Mpc(MpvMfMpvPhi_k[k],Y);                // V as we take Ydag 
-	  VdagV.MpcDeriv   (tmp,Y, MpvPhi_k[k]); dSdU=dSdU+ak*tmp;
-	  VdagV.MpcDagDeriv(tmp,MpvPhi_k[k], Y); dSdU=dSdU+ak*tmp;
-
-	}
-
-	//dSdU = Ta(dSdU);
-
-      };
     };
 
 NAMESPACE_END(Grid);

Grid/qcd/action/pseudofermion/PseudoFermion.h

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

Grid/qcd/action/pseudofermion/TwoFlavour.h

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

Grid/qcd/action/pseudofermion/TwoFlavourEvenOddRatio.h

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

Grid/qcd/action/pseudofermion/TwoFlavourRatio.h

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

Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h

@@ -0,0 +1,197 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class Impl>
+class TwoFlavourRatio4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+private:
+  FermionOperator<Impl> & NumOp;// the basic operator
+  FermionOperator<Impl> & DenOp;// the basic operator
+
+  OperatorFunction<FermionField> &DerivativeSolver;
+  OperatorFunction<FermionField> &ActionSolver;
+
+  FermionField phi4; // the pseudo fermion field for this trajectory
+
+public:
+  TwoFlavourRatio4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+				       FermionOperator<Impl>  &_DenOp, 
+				       OperatorFunction<FermionField> & DS,
+				       OperatorFunction<FermionField> & AS
+				       ) : NumOp(_NumOp),
+					   DenOp(_DenOp),
+					   DerivativeSolver(DS),
+					   ActionSolver(AS),
+					   phi4(_NumOp.GaugeGrid())
+  {};
+      
+  virtual std::string action_name(){return "TwoFlavourRatio4DPseudoFermionAction";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+    return sstream.str();
+  }  
+      
+  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+
+    // P(phi) = e^{- phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi}
+    //
+    // NumOp == V
+    // DenOp == M
+    //
+    // Take phi = (V^{-1} M)_11 eta  ; eta = (M^{-1} V)_11 Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    FermionField eta4(NumOp.GaugeGrid());
+    FermionField eta5(NumOp.FermionGrid());
+    FermionField tmp(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta4);
+    NumOp.ImportFourDimPseudoFermion(eta4,eta5);
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(NumOp);
+
+    DenOp.M(eta5,phi5);               // M eta
+    NumOp.Mdag(phi5,tmp);            // Vdag M eta
+    phi5 = Zero();
+    ActionSolver(MdagMOp,tmp,phi5);  // (VdagV)^-1 M eta = V^-1 Vdag^-1 Vdag M eta = V^-1 M eta
+    phi5=phi5*scale;
+
+    // Project to 4d
+    NumOp.ExportFourDimPseudoFermion(phi5,phi4);
+      
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField Y4(NumOp.GaugeGrid());
+    FermionField X(NumOp.FermionGrid());
+    FermionField Y(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+	
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+
+    NumOp.ImportFourDimPseudoFermion(phi4,phi5);
+    NumOp.M(phi5,Y);              // Y= V phi
+    DenOp.Mdag(Y,X);              // X= Mdag V phi
+    Y=Zero();
+    ActionSolver(MdagMOp,X,Y);    // Y= (MdagM)^-1 Mdag Vdag phi = M^-1 V phi
+
+    NumOp.ExportFourDimPseudoFermion(Y,Y4);
+
+    RealD action = norm2(Y4);
+
+    return action;
+  };
+
+  //////////////////////////////////////////////////////
+  // dS/du = 2 Re phi^dag (V^dag M^-dag)_11  (M^-1 d V)_11  phi
+  //       - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+  //////////////////////////////////////////////////////
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+
+
+    FermionField  X(NumOp.FermionGrid());
+    FermionField  Y(NumOp.FermionGrid());
+    FermionField       phi(NumOp.FermionGrid());
+    FermionField      Vphi(NumOp.FermionGrid());
+    FermionField  MinvVphi(NumOp.FermionGrid());
+    FermionField      tmp4(NumOp.GaugeGrid());
+    FermionField  MdagInvMinvVphi(NumOp.FermionGrid());
+
+    GaugeField   force(NumOp.GaugeGrid());	
+
+    //Y=V phi
+    //X = (Mdag V phi
+    //Y = (Mdag M)^-1 Mdag V phi = M^-1 V Phi
+    NumOp.ImportFourDimPseudoFermion(phi4,phi);
+    NumOp.M(phi,Vphi);               //  V phi
+    DenOp.Mdag(Vphi,X);              // X=  Mdag V phi
+    Y=Zero();
+    DerivativeSolver(MdagMOp,X,MinvVphi);// M^-1 V phi
+
+    // Projects onto the physical space and back
+    NumOp.ExportFourDimPseudoFermion(MinvVphi,tmp4);
+    NumOp.ImportFourDimPseudoFermion(tmp4,Y);
+    
+    X=Zero();
+    DerivativeSolver(MdagMOp,Y,X);// X = (MdagM)^-1 proj M^-1 V phi
+    DenOp.M(X,MdagInvMinvVphi);
+    
+    // phi^dag (Vdag Mdag^-1) (M^-1 dV)  phi
+    NumOp.MDeriv(force ,MdagInvMinvVphi , phi, DaggerNo );  dSdU=force;
+  
+    // phi^dag (dVdag Mdag^-1) (M^-1 V)  phi
+    NumOp.MDeriv(force , phi, MdagInvMinvVphi ,DaggerYes  );  dSdU=dSdU+force;
+
+    //    - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+    DenOp.MDeriv(force,MdagInvMinvVphi,MinvVphi,DaggerNo);   dSdU=dSdU-force;
+    DenOp.MDeriv(force,MinvVphi,MdagInvMinvVphi,DaggerYes);  dSdU=dSdU-force;
+
+    dSdU *= -1.0; 
+    //dSdU = - Ta(dSdU);
+    
+  };
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h

@@ -0,0 +1,203 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio.h
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: Peter Boyle <peterboyle@Peters-MacBook-Pro-2.local>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+///////////////////////////////////////
+// Two flavour ratio
+///////////////////////////////////////
+template<class Impl>
+class TwoFlavourRatioEO4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+private:
+  typedef FermionOperator<Impl> FermOp;
+  FermionOperator<Impl> & NumOp;// the basic operator
+  FermionOperator<Impl> & DenOp;// the basic operator
+
+  OperatorFunction<FermionField> &DerivativeSolver;
+  OperatorFunction<FermionField> &DerivativeDagSolver;
+  OperatorFunction<FermionField> &ActionSolver;
+  OperatorFunction<FermionField> &HeatbathSolver;
+
+  FermionField phi4; // the pseudo fermion field for this trajectory
+
+public:
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & AS ) : 
+    TwoFlavourRatioEO4DPseudoFermionAction(_NumOp,_DenOp, DS,DS,AS,AS) {};
+  TwoFlavourRatioEO4DPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					 FermionOperator<Impl>  &_DenOp, 
+					 OperatorFunction<FermionField> & DS,
+					 OperatorFunction<FermionField> & DDS,
+					 OperatorFunction<FermionField> & AS,
+					 OperatorFunction<FermionField> & HS
+				       ) : NumOp(_NumOp),
+					   DenOp(_DenOp),
+					   DerivativeSolver(DS),
+					   DerivativeDagSolver(DDS),
+					   ActionSolver(AS),
+					   HeatbathSolver(HS),
+					   phi4(_NumOp.GaugeGrid())
+  {};
+      
+  virtual std::string action_name(){return "TwoFlavourRatioEO4DPseudoFermionAction";}
+
+  virtual std::string LogParameters(){
+    std::stringstream sstream;
+    sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+    return sstream.str();
+  }  
+      
+  virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+
+    // P(phi) = e^{- phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi}
+    //
+    // NumOp == V
+    // DenOp == M
+    //
+    // Take phi = (V^{-1} M)_11 eta  ; eta = (M^{-1} V)_11 Phi
+    //
+    // P(eta) = e^{- eta^dag eta}
+    //
+    // e^{x^2/2 sig^2} => sig^2 = 0.5.
+    // 
+    // So eta should be of width sig = 1/sqrt(2) and must multiply by 0.707....
+    //
+    RealD scale = std::sqrt(0.5);
+
+    FermionField eta4(NumOp.GaugeGrid());
+    FermionField eta5(NumOp.FermionGrid());
+    FermionField tmp(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+
+    gaussian(pRNG,eta4);
+    NumOp.ImportFourDimPseudoFermion(eta4,eta5);
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(HeatbathSolver);
+
+    DenOp.M(eta5,tmp);               // M eta
+    PrecSolve(NumOp,tmp,phi5);  // phi = V^-1 M eta
+    phi5=phi5*scale;
+    std::cout << GridLogMessage << "4d pf refresh "<< norm2(phi5)<<"\n";
+    // Project to 4d
+    NumOp.ExportFourDimPseudoFermion(phi5,phi4);
+      
+  };
+
+  //////////////////////////////////////////////////////
+  // S = phi^dag (V^dag M^-dag)_11  (M^-1 V)_11 phi
+  //////////////////////////////////////////////////////
+  virtual RealD S(const GaugeField &U) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField Y4(NumOp.GaugeGrid());
+    FermionField X(NumOp.FermionGrid());
+    FermionField Y(NumOp.FermionGrid());
+    FermionField phi5(NumOp.FermionGrid());
+	
+    MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagMOp(DenOp);
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(ActionSolver);
+
+    NumOp.ImportFourDimPseudoFermion(phi4,phi5);
+    NumOp.M(phi5,X);              // X= V phi
+    PrecSolve(DenOp,X,Y);    // Y= (MdagM)^-1 Mdag Vdag phi = M^-1 V phi
+    NumOp.ExportFourDimPseudoFermion(Y,Y4);
+
+    RealD action = norm2(Y4);
+
+    return action;
+  };
+
+  //////////////////////////////////////////////////////
+  // dS/du = 2 Re phi^dag (V^dag M^-dag)_11  (M^-1 d V)_11  phi
+  //       - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+  //////////////////////////////////////////////////////
+  virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
+
+    NumOp.ImportGauge(U);
+    DenOp.ImportGauge(U);
+
+    FermionField  X(NumOp.FermionGrid());
+    FermionField  Y(NumOp.FermionGrid());
+    FermionField       phi(NumOp.FermionGrid());
+    FermionField      Vphi(NumOp.FermionGrid());
+    FermionField  MinvVphi(NumOp.FermionGrid());
+    FermionField      tmp4(NumOp.GaugeGrid());
+    FermionField  MdagInvMinvVphi(NumOp.FermionGrid());
+
+    GaugeField   force(NumOp.GaugeGrid());	
+
+    //Y=V phi
+    //X = (Mdag V phi
+    //Y = (Mdag M)^-1 Mdag V phi = M^-1 V Phi
+    NumOp.ImportFourDimPseudoFermion(phi4,phi);
+    NumOp.M(phi,Vphi);               //  V phi
+    SchurRedBlackDiagMooeeSolve<FermionField> PrecSolve(DerivativeSolver);
+    PrecSolve(DenOp,Vphi,MinvVphi);// M^-1 V phi
+    std::cout << GridLogMessage << "4d deriv solve "<< norm2(MinvVphi)<<"\n";
+
+    // Projects onto the physical space and back
+    NumOp.ExportFourDimPseudoFermion(MinvVphi,tmp4);
+    NumOp.ImportFourDimPseudoFermion(tmp4,Y);
+
+    SchurRedBlackDiagMooeeDagSolve<FermionField> PrecDagSolve(DerivativeDagSolver);
+    // X = proj M^-dag V phi
+    // Need an adjoint solve
+    PrecDagSolve(DenOp,Y,MdagInvMinvVphi);
+    std::cout << GridLogMessage << "4d deriv solve dag "<< norm2(MdagInvMinvVphi)<<"\n";
+    
+    // phi^dag (Vdag Mdag^-1) (M^-1 dV)  phi
+    NumOp.MDeriv(force ,MdagInvMinvVphi , phi, DaggerNo );  dSdU=force;
+  
+    // phi^dag (dVdag Mdag^-1) (M^-1 V)  phi
+    NumOp.MDeriv(force , phi, MdagInvMinvVphi ,DaggerYes  );  dSdU=dSdU+force;
+
+    //    - 2 Re phi^dag (dV^dag M^-dag)_11  (M^-1 dM M^-1 V)_11  phi
+    DenOp.MDeriv(force,MdagInvMinvVphi,MinvVphi,DaggerNo);   dSdU=dSdU-force;
+    DenOp.MDeriv(force,MinvVphi,MdagInvMinvVphi,DaggerYes);  dSdU=dSdU-force;
+
+    dSdU *= -1.0; 
+    //dSdU = - Ta(dSdU);
+    
+  };
+};
+
+NAMESPACE_END(Grid);
+
+

Grid/qcd/gparity/Gparity.h

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

Grid/qcd/gparity/GparityFlavour.cc

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

Grid/qcd/gparity/GparityFlavour.h

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

Grid/qcd/hmc/UsingHMC.md

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

Grid/qcd/hmc/integrators/Integrator.h

@@ -125,7 +125,6 @@ protected:
     // Fundamental updates, include smearing
 
     for (int a = 0; a < as[level].actions.size(); ++a) {
-
       double start_full = usecond();
       Field force(U.Grid());
       conformable(U.Grid(), Mom.Grid());
@@ -139,13 +138,12 @@ protected:
       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);
-      std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<< std::endl;
-      DumpSliceNorm("force ",force,Nd-1);
       
       Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
@@ -166,6 +164,7 @@ protected:
       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

Grid/qcd/utils/CovariantCshift.h

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

Grid/qcd/utils/MixedPrecisionOperatorFunction.h

@@ -0,0 +1,111 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: 
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#pragma once
+
+NAMESPACE_BEGIN(Grid); 
+
+template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+
+ public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid;
+    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+     MixedPrecisionConjugateGradientOperatorFunction(RealD tol, RealD tolInner,
+						    Integer maxinnerit, 
+						    Integer maxouterit,
+						    GridBase *_SinglePrecGrid,
+                                                    FermionOperatorF &_FermOpF,
+                                                    FermionOperatorD &_FermOpD,
+						    SchurOperatorF   &_LinOpF,
+						    SchurOperatorD   &_LinOpD) : 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      InnerTolerance(tolInner), 
+      MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), 
+      SinglePrecGrid(_SinglePrecGrid),
+      OuterLoopNormMult(100.) 
+  { assert(tolInner<0.01);    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi)
+    {
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      
+      // Assumption made in code to extract gauge field
+      // We could avoid storing LinopD reference alltogether ?
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Moving this to a Clone method of fermion operator would allow to duplicate the 
+      // physics parameters and decrease gauge field copies
+      ////////////////////////////////////////////////////////////////////////////////////
+      auto &Umu_d = FermOpD.GetDoubledGaugeField();
+      auto &Umu_f = FermOpF.GetDoubledGaugeField();
+      auto &Umu_fe= FermOpF.GetDoubledGaugeFieldE();
+      auto &Umu_fo= FermOpF.GetDoubledGaugeFieldO();
+      precisionChange(Umu_f,Umu_d);
+      pickCheckerboard(Even,Umu_fe,Umu_f);
+      pickCheckerboard(Odd ,Umu_fo,Umu_f);
+
+      //////////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      //////////////////////////////////////////////////////////////////////////////////////////
+      // Could assume red black solver here and remove the SinglePrecGrid parameter???
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance, InnerTolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid,LinOpF,LinOpD);
+
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient src "<<norm2(src) <<std::endl;
+      psi=Zero();
+      MPCG(src,psi);
+    }
+  };
+NAMESPACE_END(Grid); 

Grid/random/gaussian.h

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

Grid/stencil/Stencil.h

@@ -131,11 +131,8 @@ class CartesianStencilAccelerator {
   int           _checkerboard;
   int           _npoints; // Move to template param?
   int           _osites;
-  int           _dirichlet;
   StencilVector _directions;
   StencilVector _distances;
-  StencilVector _comms_send;
-  StencilVector _comms_recv;
   StencilVector _comm_buf_size;
   StencilVector _permute_type;
   StencilVector same_node;
@@ -229,8 +226,6 @@ public:
     void * recv_buf;
     Integer to_rank;
     Integer from_rank;
-    Integer do_send;
-    Integer do_recv;
     Integer bytes;
   };
   struct Merge {
@@ -245,20 +240,7 @@ public:
     cobj * mpi_p;
     Integer buffer_size;
   };
-  struct CopyReceiveBuffer {
+
-    void * from_p;
-    void * to_p;
-    Integer bytes;
-  };
-  struct CachedTransfer {
-    Integer direction;
-    Integer OrthogPlane;
-    Integer DestProc;
-    Integer bytes;
-    Integer lane;
-    Integer cb;
-    void *recv_buf;
-  };
 
 protected:
   GridBase *                        _grid;
@@ -281,6 +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
@@ -289,8 +272,7 @@ public:
   std::vector<Merge> MergersSHM;
   std::vector<Decompress> Decompressions;
   std::vector<Decompress> DecompressionsSHM;
-  std::vector<CopyReceiveBuffer> CopyReceiveBuffers ;
+
-  std::vector<CachedTransfer> CachedTransfers;
   ///////////////////////////////////////////////////////////
   // Unified Comms buffers for all directions
   ///////////////////////////////////////////////////////////
@@ -303,6 +285,29 @@ public:
   int u_comm_offset;
   int _unified_buffer_size;
 
+  /////////////////////////////////////////
+  // Timing info; ugly; possibly temporary
+  /////////////////////////////////////////
+  double commtime;
+  double mpi3synctime;
+  double mpi3synctime_g;
+  double shmmergetime;
+  double gathertime;
+  double gathermtime;
+  double halogtime;
+  double mergetime;
+  double decompresstime;
+  double comms_bytes;
+  double shm_bytes;
+  double splicetime;
+  double nosplicetime;
+  double calls;
+  std::vector<double> comm_bytes_thr;
+  std::vector<double> shm_bytes_thr;
+  std::vector<double> comm_time_thr;
+  std::vector<double> comm_enter_thr;
+  std::vector<double> comm_leave_thr;
+
   ////////////////////////////////////////
   // Stencil query
   ////////////////////////////////////////
@@ -316,25 +321,25 @@ public:
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 ;
+    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
 
-    //    int recv_from_rank;
+    int recv_from_rank;
-    //    int xmit_to_rank;
+    int xmit_to_rank;
 
     if ( ! comm_dim ) return 1;
     if ( displacement == 0 ) return 1;
     return 0;
+
   }
 
   //////////////////////////////////////////
   // Comms packet queue for asynch thread
   // Use OpenMP Tasks for cleaner ???
-  // must be called *inside* parallel region
   //////////////////////////////////////////
-  /*
   void CommunicateThreaded()
   {
 #ifdef GRID_OMP
+    // must be called in parallel region
     int mythread = omp_get_thread_num();
     int nthreads = CartesianCommunicator::nCommThreads;
 #else
@@ -343,29 +348,65 @@ public:
 #endif
     if (nthreads == -1) nthreads = 1;
     if (mythread < nthreads) {
+      comm_enter_thr[mythread] = usecond();
       for (int i = mythread; i < Packets.size(); i += nthreads) {
 	uint64_t bytes = _grid->StencilSendToRecvFrom(Packets[i].send_buf,
 						      Packets[i].to_rank,
 						      Packets[i].recv_buf,
 						      Packets[i].from_rank,
 						      Packets[i].bytes,i);
+	comm_bytes_thr[mythread] += bytes;
+	shm_bytes_thr[mythread] += 2*Packets[i].bytes-bytes; // Send + Recv.
+
+      }
+      comm_leave_thr[mythread]= usecond();
+      comm_time_thr[mythread] += comm_leave_thr[mythread] - comm_enter_thr[mythread];
     }
   }
+
+  void CollateThreads(void)
+  {
+    int nthreads = CartesianCommunicator::nCommThreads;
+    double first=0.0;
+    double last =0.0;
+
+    for(int t=0;t<nthreads;t++) {
+
+      double t0 = comm_enter_thr[t];
+      double t1 = comm_leave_thr[t];
+      comms_bytes+=comm_bytes_thr[t];
+      shm_bytes  +=shm_bytes_thr[t];
+
+      comm_enter_thr[t] = 0.0;
+      comm_leave_thr[t] = 0.0;
+      comm_time_thr[t]   = 0.0;
+      comm_bytes_thr[t]=0;
+      shm_bytes_thr[t]=0;
+
+      if ( first == 0.0 ) first = t0;                   // first is t0
+      if ( (t0 > 0.0) && ( t0 < first ) ) first = t0;   // min time seen
+
+      if ( t1 > last ) last = t1;                       // max time seen
+
+    }
+    commtime+= last-first;
   }
-  */
   ////////////////////////////////////////////////////////////////////////
   // Non blocking send and receive. Necessarily parallel.
   ////////////////////////////////////////////////////////////////////////
   void CommunicateBegin(std::vector<std::vector<CommsRequest_t> > &reqs)
   {
     reqs.resize(Packets.size());
+    commtime-=usecond();
     for(int i=0;i<Packets.size();i++){
-      _grid->StencilSendToRecvFromBegin(reqs[i],
+      uint64_t bytes=_grid->StencilSendToRecvFromBegin(reqs[i],
 						     Packets[i].send_buf,
-					Packets[i].to_rank,Packets[i].do_send,
+						     Packets[i].to_rank,
 						     Packets[i].recv_buf,
-					Packets[i].from_rank,Packets[i].do_recv,
+						     Packets[i].from_rank,
 						     Packets[i].bytes,i);
+      comms_bytes+=bytes;
+      shm_bytes  +=2*Packets[i].bytes-bytes;
     }
   }
 
@@ -374,6 +415,7 @@ public:
     for(int i=0;i<Packets.size();i++){
       _grid->StencilSendToRecvFromComplete(reqs[i],i);
     }
+    commtime+=usecond();
   }
   ////////////////////////////////////////////////////////////////////////
   // Blocking send and receive. Either sequential or parallel.
@@ -381,27 +423,28 @@ public:
   void Communicate(void)
   {
     if ( CartesianCommunicator::CommunicatorPolicy == CartesianCommunicator::CommunicatorPolicySequential ){
-      /////////////////////////////////////////////////////////
+      thread_region {
-      // several way threaded on different communicators.
+	// must be called in parallel region
-      // Cannot combine with Dirichlet operators
+	int mythread  = thread_num();
-      // This scheme is needed on Intel Omnipath for best performance
+	int maxthreads= thread_max();
-      // Deprecate once there are very few omnipath clusters
-      /////////////////////////////////////////////////////////
 	int nthreads = CartesianCommunicator::nCommThreads;
-      int old = GridThread::GetThreads();
+	assert(nthreads <= maxthreads);
-      GridThread::SetThreads(nthreads);
+	if (nthreads == -1) nthreads = 1;
-      thread_for(i,Packets.size(),{
+	if (mythread < nthreads) {
-	  _grid->StencilSendToRecvFrom(Packets[i].send_buf,
+	  for (int i = mythread; i < Packets.size(); i += nthreads) {
-				       Packets[i].to_rank,Packets[i].do_send,
+	    double start = usecond();
+	    uint64_t bytes= _grid->StencilSendToRecvFrom(Packets[i].send_buf,
+							 Packets[i].to_rank,
 							 Packets[i].recv_buf,
-				       Packets[i].from_rank,Packets[i].do_recv,
+							 Packets[i].from_rank,
 							 Packets[i].bytes,i);
-      });
+	    comm_bytes_thr[mythread] += bytes;
-      GridThread::SetThreads(old);
+	    shm_bytes_thr[mythread]  += Packets[i].bytes - bytes;
-    } else { 
+	    comm_time_thr[mythread]  += usecond() - start;
-      /////////////////////////////////////////////////////////
+	  }
-      // Concurrent and non-threaded asynch calls to MPI
+	}
-      /////////////////////////////////////////////////////////
+      }
+    } else { // Concurrent and non-threaded asynch calls to MPI
       std::vector<std::vector<CommsRequest_t> > reqs;
       this->CommunicateBegin(reqs);
       this->CommunicateComplete(reqs);
@@ -432,7 +475,7 @@ public:
 
     // the permute type
     int simd_layout     = _grid->_simd_layout[dimension];
-    int comm_dim        = _grid->_processors[dimension] >1 ;
+    int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
     int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
 
     int is_same_node = 1;
@@ -443,23 +486,31 @@ public:
       sshift[1] = _grid->CheckerBoardShiftForCB(this->_checkerboard,dimension,shift,Odd);
       if ( sshift[0] == sshift[1] ) {
 	if (splice_dim) {
-	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx,point);
+	  splicetime-=usecond();
+	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx);
 	  is_same_node = is_same_node && tmp;
+	  splicetime+=usecond();
 	} else {
-	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx,point);
+	  nosplicetime-=usecond();
+	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx);
 	  is_same_node = is_same_node && tmp;
+	  nosplicetime+=usecond();
 	}
       } else {
 	if(splice_dim){
+	  splicetime-=usecond();
 	  // if checkerboard is unfavourable take two passes
 	  // both with block stride loop iteration
-	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx,point);
+	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx);
-	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx,point);
+	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx);
 	  is_same_node = is_same_node && tmp1 && tmp2;
+	  splicetime+=usecond();
 	} else {
-	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx,point);
+	  nosplicetime-=usecond();
-	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx,point);
+	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx);
+	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx);
 	  is_same_node = is_same_node && tmp1 && tmp2;
+	  nosplicetime+=usecond();
 	}
       }
     }
@@ -469,10 +520,13 @@ public:
   template<class compressor>
   void HaloGather(const Lattice<vobj> &source,compressor &compress)
   {
+    mpi3synctime_g-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
+    mpi3synctime_g+=usecond();
 
     // conformable(source.Grid(),_grid);
     assert(source.Grid()==_grid);
+    halogtime-=usecond();
 
     u_comm_offset=0;
 
@@ -486,6 +540,7 @@ public:
     assert(u_comm_offset==_unified_buffer_size);
 
     accelerator_barrier();
+    halogtime+=usecond();
   }
 
   /////////////////////////
@@ -498,72 +553,14 @@ public:
     Mergers.resize(0);
     MergersSHM.resize(0);
     Packets.resize(0);
-    CopyReceiveBuffers.resize(0);
+    calls++;
-    CachedTransfers.resize(0);
   }
-  void AddCopy(void *from,void * to, Integer bytes)
+  void AddPacket(void *xmit,void * rcv, Integer to,Integer from,Integer bytes){
-  {
-    //    std::cout << "Adding CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<bytes<<std::endl;
-    CopyReceiveBuffer obj;
-    obj.from_p = from;
-    obj.to_p = to;
-    obj.bytes= bytes;
-    CopyReceiveBuffers.push_back(obj);
-  }
-  void CommsCopy()
-  {
-    //    These are device resident MPI buffers.
-    for(int i=0;i<CopyReceiveBuffers.size();i++){
-      cobj *from=(cobj *)CopyReceiveBuffers[i].from_p;
-      cobj *to  =(cobj *)CopyReceiveBuffers[i].to_p;
-      Integer words = CopyReceiveBuffers[i].bytes/sizeof(cobj);
-      //    std::cout << "CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<words*sizeof(cobj)<<std::endl;
-      accelerator_forNB(j, words, cobj::Nsimd(), {
-	  coalescedWrite(to[j] ,coalescedRead(from [j]));
-      });
-    }
-  }
-  
-  Integer CheckForDuplicate(Integer direction, Integer OrthogPlane, Integer DestProc, void *recv_buf,Integer lane,Integer bytes,Integer cb)
-  {
-    CachedTransfer obj;
-    obj.direction   = direction;
-    obj.OrthogPlane = OrthogPlane;
-    obj.DestProc    = DestProc;
-    obj.recv_buf    = recv_buf;
-    obj.lane        = lane;
-    obj.bytes       = bytes;
-    obj.cb          = cb;
-
-    for(int i=0;i<CachedTransfers.size();i++){
-      if (   (CachedTransfers[i].direction  ==direction)
-	   &&(CachedTransfers[i].OrthogPlane==OrthogPlane)
-	   &&(CachedTransfers[i].DestProc   ==DestProc)
-	   &&(CachedTransfers[i].bytes      ==bytes)
-	   &&(CachedTransfers[i].lane       ==lane)
-	   &&(CachedTransfers[i].cb         ==cb)
-	     ){
-	//	std::cout << "Found duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<< " bytes "<<bytes <<std::endl;
-	AddCopy(CachedTransfers[i].recv_buf,recv_buf,bytes);
-	return 1;
-      }
-    }
-
-    //    std::cout << "No duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<<"  bytes "<<bytes<<std::endl;
-    CachedTransfers.push_back(obj);
-    return 0;
-  }
-  void AddPacket(void *xmit,void * rcv,
-		 Integer to, Integer do_send,
-		 Integer from, Integer do_recv,
-		 Integer bytes){
     Packet p;
     p.send_buf = xmit;
     p.recv_buf = rcv;
     p.to_rank  = to;
     p.from_rank= from;
-    p.do_send  = do_send;
-    p.do_recv  = do_recv;
     p.bytes    = bytes;
     Packets.push_back(p);
   }
@@ -583,17 +580,22 @@ public:
     mv.push_back(m);
   }
   template<class decompressor>  void CommsMerge(decompressor decompress)    {
-    CommsCopy();
     CommsMerge(decompress,Mergers,Decompressions);
   }
   template<class decompressor>  void CommsMergeSHM(decompressor decompress) {
+    mpi3synctime-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
+    mpi3synctime+=usecond();
+    shmmergetime-=usecond();
     CommsMerge(decompress,MergersSHM,DecompressionsSHM);
+    shmmergetime+=usecond();
   }
 
   template<class decompressor>
-  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd)
+  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd) {
-  {
+
+    
+    mergetime-=usecond();
     for(int i=0;i<mm.size();i++){
       auto mp = &mm[i].mpointer[0];
       auto vp0= &mm[i].vpointers[0][0];
@@ -603,7 +605,9 @@ public:
 	  decompress.Exchange(mp,vp0,vp1,type,o);
       });
     }
+    mergetime+=usecond();
 
+    decompresstime-=usecond();
     for(int i=0;i<dd.size();i++){
       auto kp = dd[i].kernel_p;
       auto mp = dd[i].mpi_p;
@@ -611,6 +615,7 @@ public:
 	decompress.Decompress(kp,mp,o);
       });
     }
+    decompresstime+=usecond();
   }
   ////////////////////////////////////////
   // Set up routines
@@ -647,60 +652,36 @@ public:
       }
     }
   }
-  /// Introduce a block structure and switch off comms on boundaries
-  void DirichletBlock(const Coordinate &dirichlet_block)
-  {
-    this->_dirichlet = 1;
-    for(int ii=0;ii<this->_npoints;ii++){
-      int dimension    = this->_directions[ii];
-      int displacement = this->_distances[ii];
-      int shift = displacement;
-      int gd = _grid->_gdimensions[dimension];
-      int fd = _grid->_fdimensions[dimension];
-      int pd = _grid->_processors [dimension];
-      int ld = gd/pd;
-      int pc = _grid->_processor_coor[dimension];
-      ///////////////////////////////////////////
-      // Figure out dirichlet send and receive
-      // on this leg of stencil.
-      ///////////////////////////////////////////
-      int comm_dim        = _grid->_processors[dimension] >1 ;
-      int block = dirichlet_block[dimension];
-      this->_comms_send[ii] = comm_dim;
-      this->_comms_recv[ii] = comm_dim;
-      if ( block ) {
-	assert(abs(displacement) < ld );
 
-	if( displacement > 0 ) {
-	  // High side, low side
-	  // | <--B--->|
-	  // |    |    |
-	  //           noR
-	  // noS
-	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_recv[ii] = 0;
-	  if ( ( ld*pc ) % block == 0    ) this->_comms_send[ii] = 0;
-	} else {
-	  // High side, low side
-	  // | <--B--->|
-	  // |    |    |
-	  //           noS
-	  // noR
-	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_send[ii] = 0;
-	  if ( ( ld*pc ) % block    == 0 ) this->_comms_recv[ii] = 0;
-	}
-      }
-    }
-  }
   CartesianStencil(GridBase *grid,
 		   int npoints,
 		   int checkerboard,
 		   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),
+      comm_leave_thr(npoints),
+      comm_time_thr(npoints)
   {
-    this->_dirichlet = 0;
     face_table_computed=0;
     _grid    = grid;
+    this->locally_periodic=_locally_periodic;
     this->parameters=p;
     /////////////////////////////////////
     // Initialise the base
@@ -711,8 +692,6 @@ public:
     this->_simd_layout = _grid->_simd_layout; // copy simd_layout to give access to Accelerator Kernels
     this->_directions = StencilVector(directions);
     this->_distances  = StencilVector(distances);
-    this->_comms_send.resize(npoints); 
-    this->_comms_recv.resize(npoints); 
     this->same_node.resize(npoints);
 
     _unified_buffer_size=0;
@@ -728,30 +707,29 @@ public:
       int point = i;
 
       int dimension    = directions[i];
+      assert(dimension>=0 && dimension<_grid->Nd());
+
       int displacement = distances[i];
       int shift = displacement;
 
-      int gd = _grid->_gdimensions[dimension];
       int fd = _grid->_fdimensions[dimension];
-      int pd = _grid->_processors [dimension];
-      int ld = gd/pd;
       int rd = _grid->_rdimensions[dimension];
-      int pc = _grid->_processor_coor[dimension];
       this->_permute_type[point]=_grid->PermuteType(dimension);
 
       this->_checkerboard = checkerboard;
 
+      //////////////////////////
+      // the permute type
+      //////////////////////////
       int simd_layout     = _grid->_simd_layout[dimension];
-      int comm_dim        = _grid->_processors[dimension] >1 ;
+      int comm_dim        = _grid->_processors[dimension] >1 && (!locally_periodic);
       int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
       int rotate_dim      = _grid->_simd_layout[dimension]>2;
 
-      this->_comms_send[ii] = comm_dim;
-      this->_comms_recv[ii] = comm_dim;
-
       assert ( (rotate_dim && comm_dim) == false) ; // Do not think spread out is supported
 
       int sshift[2];
+
       //////////////////////////
       // Underlying approach. For each local site build
       // up a table containing the npoint "neighbours" and whether they
@@ -852,14 +830,13 @@ public:
     GridBase *grid=_grid;
     const int Nsimd = grid->Nsimd();
 
-    int comms_recv      = this->_comms_recv[point];
     int fd              = _grid->_fdimensions[dimension];
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
     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);
@@ -909,9 +886,7 @@ public:
       if ( (shiftpm== 1) && (sx<x) && (grid->_processor_coor[dimension]==grid->_processors[dimension]-1) ) {
 	wraparound = 1;
       }
-
+      if (!offnode) {
-      // Wrap locally dirichlet support case OR node local
-      if ( (offnode==0) || (comms_recv==0)  ) {
 
 	int permute_slice=0;
 	CopyPlane(point,dimension,x,sx,cbmask,permute_slice,wraparound);
@@ -1028,14 +1003,11 @@ public:
   }
 
   template<class compressor>
-  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx, int point)
+  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx)
   {
     typedef typename cobj::vector_type vector_type;
     typedef typename cobj::scalar_type scalar_type;
 
-    int comms_send   = this->_comms_send[point] ;
-    int comms_recv   = this->_comms_recv[point] ;
-
     assert(rhs.Grid()==_grid);
     //	  conformable(_grid,rhs.Grid());
 
@@ -1044,6 +1016,7 @@ public:
     int pd              = _grid->_processors[dimension];
     int simd_layout     = _grid->_simd_layout[dimension];
     int comm_dim        = _grid->_processors[dimension] >1 ;
+    assert(locally_periodic==false);
     assert(simd_layout==1);
     assert(comm_dim==1);
     assert(shift>=0);
@@ -1061,8 +1034,6 @@ public:
 
       if (comm_proc) {
 
-	
-	
 	int words = buffer_size;
 	if (cbmask != 0x3) words=words>>1;
 
@@ -1094,20 +1065,16 @@ public:
 	  recv_buf=this->u_recv_buf_p;
 	}
 
-
 	cobj *send_buf;
 	send_buf = this->u_send_buf_p; // Gather locally, must send
 
 	////////////////////////////////////////////////////////
 	// Gather locally
 	////////////////////////////////////////////////////////
+	gathertime-=usecond();
 	assert(send_buf!=NULL);
-	if ( comms_send ) 
+	Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so); face_idx++;
-	  Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so);
+	gathertime+=usecond();
-	face_idx++;
-
-	int duplicate = CheckForDuplicate(dimension,sx,comm_proc,(void *)&recv_buf[u_comm_offset],0,bytes,cbmask);
-	if ( (!duplicate) ) { // Force comms for now
 
 	///////////////////////////////////////////////////////////
 	// Build a list of things to do after we synchronise GPUs
@@ -1115,10 +1082,9 @@ public:
 	///////////////////////////////////////////////////////////
 	AddPacket((void *)&send_buf[u_comm_offset],
 		  (void *)&recv_buf[u_comm_offset],
-		    xmit_to_rank, comms_send,
+		  xmit_to_rank,
-		    recv_from_rank, comms_recv,
+		  recv_from_rank,
 		  bytes);
-	}
 
 	if ( compress.DecompressionStep() ) {
 	  AddDecompress(&this->u_recv_buf_p[u_comm_offset],
@@ -1132,21 +1098,18 @@ public:
   }
 
   template<class compressor>
-  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx,int point)
+  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx)
   {
     const int Nsimd = _grid->Nsimd();
 
     const int maxl =2;// max layout in a direction
-
-    int comms_send   = this->_comms_send[point] ;
-    int comms_recv   = this->_comms_recv[point] ;
-
     int fd = _grid->_fdimensions[dimension];
     int rd = _grid->_rdimensions[dimension];
     int ld = _grid->_ldimensions[dimension];
     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);
@@ -1205,11 +1168,12 @@ public:
 				  &face_table[face_idx][0],
 				  face_table[face_idx].size()*sizeof(face_table_host[0]));
 	}
+	gathermtime-=usecond();
 
-	//	if ( comms_send )
 	Gather_plane_exchange_table(face_table[face_idx],rhs,spointers,dimension,sx,cbmask,compress,permute_type);
 	face_idx++;
 
+	gathermtime+=usecond();
 	//spointers[0] -- low
 	//spointers[1] -- high
 
@@ -1238,13 +1202,8 @@ public:
 
 	    rpointers[i] = rp;
 
-	    int duplicate = CheckForDuplicate(dimension,sx,nbr_proc,(void *)rp,i,bytes,cbmask);
+	    AddPacket((void *)sp,(void *)rp,xmit_to_rank,recv_from_rank,bytes);
-	    if ( !duplicate  ) { 
+
-	      AddPacket((void *)sp,(void *)rp,
-			xmit_to_rank,comms_send,
-			recv_from_rank,comms_recv,
-			bytes);
-	    }
 
 	  } else {
 

Grid/tensors/Tensor_exp.h

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

Grid/tensors/Tensor_extract_merge.h

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