Merge branch 'feature/dirichlet' into develop

Grid/GridCore.h

@@ -44,9 +44,10 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #include <Grid/GridStd.h>
 #include <Grid/threads/Pragmas.h>
 #include <Grid/perfmon/Timer.h>
-#include <Grid/perfmon/PerfCount.h>
+//#include <Grid/perfmon/PerfCount.h>
 #include <Grid/util/Util.h>
 #include <Grid/log/Log.h>
+#include <Grid/perfmon/Tracing.h>
 #include <Grid/allocator/Allocator.h>
 #include <Grid/simd/Simd.h>
 #include <Grid/threads/ThreadReduction.h>

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/ConjugateGradientMixedPrecBatched.h>
 #include <Grid/algorithms/iterative/BiCGSTABMixedPrec.h>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>

Grid/algorithms/CoarsenedMatrix.h

@@ -324,9 +324,9 @@ public:
   GridBase*        _cbgrid;
   int hermitian;
 
-  CartesianStencil<siteVector,siteVector,int> Stencil; 
+  CartesianStencil<siteVector,siteVector,DefaultImplParams> Stencil; 
-  CartesianStencil<siteVector,siteVector,int> StencilEven;
+  CartesianStencil<siteVector,siteVector,DefaultImplParams> StencilEven;
-  CartesianStencil<siteVector,siteVector,int> StencilOdd;
+  CartesianStencil<siteVector,siteVector,DefaultImplParams> StencilOdd;
 
   std::vector<CoarseMatrix> A;
   std::vector<CoarseMatrix> Aeven;
@@ -631,7 +631,7 @@ public:
     assert(Aself != nullptr);
   }
 
-  void DselfInternal(CartesianStencil<siteVector,siteVector,int> &st, CoarseMatrix &a,
+  void DselfInternal(CartesianStencil<siteVector,siteVector,DefaultImplParams> &st, CoarseMatrix &a,
                        const CoarseVector &in, CoarseVector &out, int dag) {
     int point = geom.npoint-1;
     autoView( out_v, out, AcceleratorWrite);
@@ -694,7 +694,7 @@ public:
     }
   }
 
-  void DhopInternal(CartesianStencil<siteVector,siteVector,int> &st, std::vector<CoarseMatrix> &a,
+  void DhopInternal(CartesianStencil<siteVector,siteVector,DefaultImplParams> &st, std::vector<CoarseMatrix> &a,
                     const CoarseVector &in, CoarseVector &out, int dag) {
     SimpleCompressor<siteVector> compressor;
 
@@ -784,9 +784,9 @@ public:
     _cbgrid(new GridRedBlackCartesian(&CoarseGrid)),
     geom(CoarseGrid._ndimension),
     hermitian(hermitian_),
-    Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements,0),
+    Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements),
-    StencilEven(_cbgrid,geom.npoint,Even,geom.directions,geom.displacements,0),
+    StencilEven(_cbgrid,geom.npoint,Even,geom.directions,geom.displacements),
-    StencilOdd(_cbgrid,geom.npoint,Odd,geom.directions,geom.displacements,0),
+    StencilOdd(_cbgrid,geom.npoint,Odd,geom.directions,geom.displacements),
     A(geom.npoint,&CoarseGrid),
     Aeven(geom.npoint,_cbgrid),
     Aodd(geom.npoint,_cbgrid),
@@ -804,9 +804,9 @@ public:
     _cbgrid(&CoarseRBGrid),
     geom(CoarseGrid._ndimension),
     hermitian(hermitian_),
-    Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements,0),
+    Stencil(&CoarseGrid,geom.npoint,Even,geom.directions,geom.displacements),
-    StencilEven(&CoarseRBGrid,geom.npoint,Even,geom.directions,geom.displacements,0),
+    StencilEven(&CoarseRBGrid,geom.npoint,Even,geom.directions,geom.displacements),
-    StencilOdd(&CoarseRBGrid,geom.npoint,Odd,geom.directions,geom.displacements,0),
+    StencilOdd(&CoarseRBGrid,geom.npoint,Odd,geom.directions,geom.displacements),
     A(geom.npoint,&CoarseGrid),
     Aeven(geom.npoint,&CoarseRBGrid),
     Aodd(geom.npoint,&CoarseRBGrid),

Grid/algorithms/LinearOperator.h

@@ -526,6 +526,7 @@ public:
       (*this)(Linop,in[k],out[k]);
     }
   };
+  virtual ~OperatorFunction(){};
 };
 
 template<class Field> class LinearFunction {

Grid/algorithms/approx/Chebyshev.h

@@ -258,26 +258,12 @@ public:
     for(int n=2;n<order;n++){
 
       Linop.HermOp(*Tn,y);
-#if 0
-      auto y_v = y.View();
-      auto Tn_v = Tn->View();
-      auto Tnp_v = Tnp->View();
-      auto Tnm_v = Tnm->View();
-      constexpr int Nsimd = vector_type::Nsimd();
-      accelerator_for(ss, in.Grid()->oSites(), Nsimd, {
-	  coalescedWrite(y_v[ss],xscale*y_v(ss)+mscale*Tn_v(ss));
-	  coalescedWrite(Tnp_v[ss],2.0*y_v(ss)-Tnm_v(ss));
-      });
-      if ( Coeffs[n] != 0.0) {
-	axpy(out,Coeffs[n],*Tnp,out);
-      }
-#else
       axpby(y,xscale,mscale,y,(*Tn));
       axpby(*Tnp,2.0,-1.0,y,(*Tnm));
       if ( Coeffs[n] != 0.0) {
 	axpy(out,Coeffs[n],*Tnp,out);
       }
-#endif
+
       // Cycle pointers to avoid copies
       Field *swizzle = Tnm;
       Tnm    =Tn;

Grid/algorithms/iterative/ConjugateGradient.h

@@ -58,6 +58,7 @@ public:
 
   void operator()(LinearOperatorBase<Field> &Linop, const Field &src, Field &psi) {
 
+    GRID_TRACE("ConjugateGradient");
     psi.Checkerboard() = src.Checkerboard();
 
     conformable(psi, src);
@@ -117,9 +118,13 @@ public:
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
 
+    RealD usecs = -usecond();
     SolverTimer.Start();
     int k;
     for (k = 1; k <= MaxIterations; k++) {
+
+      GridStopWatch IterationTimer;
+      IterationTimer.Start();
       c = cp;
 
       MatrixTimer.Start();
@@ -152,31 +157,41 @@ public:
       LinearCombTimer.Stop();
       LinalgTimer.Stop();
 
-      std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
+      IterationTimer.Stop();
+      if ( (k % 500) == 0 ) {
+	std::cout << GridLogMessage << "ConjugateGradient: Iteration " << k
                 << " residual " << sqrt(cp/ssq) << " target " << Tolerance << std::endl;
+      } else { 
+	std::cout << GridLogIterative << "ConjugateGradient: Iteration " << k
+		  << " residual " << sqrt(cp/ssq) << " target " << Tolerance << " took " << IterationTimer.Elapsed() << std::endl;
+      }
 
       // Stopping condition
       if (cp <= rsq) {
+	usecs +=usecond();
         SolverTimer.Stop();
         Linop.HermOpAndNorm(psi, mmp, d, qq);
         p = mmp - src;
-
+	GridBase *grid = src.Grid();
+	RealD DwfFlops = (1452. )*grid->gSites()*4*k
+   	               + (8+4+8+4+4)*12*grid->gSites()*k; // CG linear algebra
         RealD srcnorm = std::sqrt(norm2(src));
         RealD resnorm = std::sqrt(norm2(p));
         RealD true_residual = resnorm / srcnorm;
-
         std::cout << GridLogMessage << "ConjugateGradient Converged on iteration " << k 
 		  << "\tComputed residual " << std::sqrt(cp / ssq)
 		  << "\tTrue residual " << true_residual
 		  << "\tTarget " << Tolerance << std::endl;
 
-        std::cout << GridLogIterative << "Time breakdown "<<std::endl;
+        std::cout << GridLogMessage << "Time breakdown "<<std::endl;
-	std::cout << GridLogIterative << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
-	std::cout << GridLogIterative << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
-	std::cout << GridLogIterative << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
-	std::cout << GridLogIterative << "\tInner      " << InnerTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tInner      " << InnerTimer.Elapsed() <<std::endl;
-	std::cout << GridLogIterative << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tAxpyNorm   " << AxpyNormTimer.Elapsed() <<std::endl;
-	std::cout << GridLogIterative << "\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
+
+	std::cout << GridLogDebug << "\tMobius flop rate " << DwfFlops/ usecs<< " Gflops " <<std::endl;
 
         if (ErrorOnNoConverge) assert(true_residual / Tolerance < 10000.0);
 

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -49,6 +49,7 @@ 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;
@@ -68,6 +69,7 @@ NAMESPACE_BEGIN(Grid);
     }
   
   void operator() (const FieldD &src_d_in, FieldD &sol_d){
+    std::cout << GridLogMessage << "MixedPrecisionConjugateGradient: Starting mixed precision CG with outer tolerance " << Tolerance << " and inner tolerance " << InnerTolerance << std::endl;
     TotalInnerIterations = 0;
 	
     GridStopWatch TotalTimer;
@@ -97,6 +99,7 @@ NAMESPACE_BEGIN(Grid);
     FieldF sol_f(SinglePrecGrid);
     sol_f.Checkerboard() = cb;
     
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
     ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
     CG_f.ErrorOnNoConverge = false;
 
@@ -106,6 +109,9 @@ NAMESPACE_BEGIN(Grid);
     
     Integer &outer_iter = TotalOuterIterations; //so it will be equal to the final iteration count
 
+    precisionChangeWorkspace pc_wk_sp_to_dp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, DoublePrecGrid);
+    
     for(outer_iter = 0; outer_iter < MaxOuterIterations; outer_iter++){
       //Compute double precision rsd and also new RHS vector.
       Linop_d.HermOp(sol_d, tmp_d);
@@ -120,7 +126,7 @@ 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, pc_wk_dp_to_sp);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -130,6 +136,7 @@ NAMESPACE_BEGIN(Grid);
 	(*guesser)(src_f, sol_f);
 
       //Inner CG
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " << outer_iter << " starting inner CG with tolerance " << inner_tol << std::endl;
       CG_f.Tolerance = inner_tol;
       InnerCGtimer.Start();
       CG_f(Linop_f, src_f, sol_f);
@@ -138,7 +145,7 @@ 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, pc_wk_sp_to_dp);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -150,6 +157,7 @@ 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

@@ -44,7 +44,7 @@ public:
 
   using OperatorFunction<Field>::operator();
 
-  RealD   Tolerance;
+  //  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
@@ -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)
   { 
@@ -84,6 +84,7 @@ public:
 
   void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector<Field> &psi)
   {
+    GRID_TRACE("ConjugateGradientMultiShift");
   
     GridBase *grid = src.Grid();
   
@@ -183,6 +184,9 @@ 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
   ///////////////////////////////////////
@@ -322,7 +326,7 @@ public:
       std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
       std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
       std::cout << GridLogMessage << "\tAXPY     " << AXPYTimer.Elapsed()     <<std::endl;
-      std::cout << GridLogMessage << "\tMarix    " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix   " << MatrixTimer.Elapsed()     <<std::endl;
       std::cout << GridLogMessage << "\tShift    " << ShiftTimer.Elapsed()     <<std::endl;
 
       IterationsToComplete = k;	

Grid/algorithms/iterative/ConjugateGradientMultiShiftCleanup.h

@@ -0,0 +1,373 @@
+/*************************************************************************************
+
+    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 */
+#pragma once
+
+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
+
+//PB Pure single, then double fixup
+
+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 ConjugateGradientMultiShiftMixedPrecCleanup : public OperatorMultiFunction<FieldD>,
+					     public OperatorFunction<FieldD>
+{
+public:                                                
+
+  using OperatorFunction<FieldD>::operator();
+
+  RealD   Tolerance;
+  Integer MaxIterationsMshift;
+  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
+
+  ConjugateGradientMultiShiftMixedPrecCleanup(Integer maxit, const MultiShiftFunction &_shifts,
+				       GridBase* _SinglePrecGrid, LinearOperatorBase<FieldF> &_Linop_f,
+				       int _ReliableUpdateFreq) : 
+    MaxIterationsMshift(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
+    MaxIterations(20000)
+  { 
+    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)
+  { 
+    GRID_TRACE("ConjugateGradientMultiShiftMixedPrecCleanup");
+    GridBase *DoublePrecGrid = src_d.Grid();
+
+    ////////////////////////////////////////////////////////////////////////
+    // 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<FieldF> ps_f (nshift, SinglePrecGrid);// Search directions (single precision)
+    std::vector<FieldF> psi_f(nshift, SinglePrecGrid);// solutions (single precision)
+
+    FieldD tmp_d(DoublePrecGrid);
+    FieldD r_d(DoublePrecGrid);
+    FieldF r_f(SinglePrecGrid);
+    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  rsqf[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 p_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+
+    // 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();
+	psi_f[s] = Zero();
+	IterationsToCompleteShift[s] = 1;
+	TrueResidualShift[s] = 0.;
+      }
+      return;
+    }
+
+    for(int s=0;s<nshift;s++){
+      rsq[s] = cp * mresidual[s] * mresidual[s];
+      rsqf[s] =rsq[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      //      ps_d[s] = src_d;
+      precisionChangeFast(ps_f[s],src_d);
+    }
+    // r and p for primary
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+    r_d = p_d;
+    
+    //MdagM+m[0]
+    precisionChangeFast(p_f,p_d);
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    precisionChangeFast(tmp_d,mmp_f);
+    Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    tmp_d = tmp_d - mmp_d;
+    std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
+    //    assert(norm2(tmp_d)< 1.0e-4);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    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_d,b,mmp_d,r_d);
+  
+    for(int s=0;s<nshift;s++) {
+      axpby(psi_d[s],0.,-bs[s]*alpha[s],src_d,src_d);
+      precisionChangeFast(psi_f[s],psi_d[s]);
+    }
+  
+    ///////////////////////////////////////
+    // Timers
+    ///////////////////////////////////////
+    GridStopWatch AXPYTimer, ShiftTimer, QRTimer, MatrixTimer, SolverTimer, PrecChangeTimer, CleanupTimer;
+
+    SolverTimer.Start();
+  
+    // Iteration loop
+    int k;
+  
+    for (k=1;k<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      AXPYTimer.Start();
+      axpy(p_d,a,p_d,r_d); 
+      AXPYTimer.Stop();
+
+      PrecChangeTimer.Start();
+      precisionChangeFast(r_f, r_d);
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	if ( ! converged[s] ) { 
+	  if (s==0){
+	    axpy(ps_f[s],a,ps_f[s],r_f);
+	  } else{
+	    RealD as =a *z[s][iz]*bs[s] /(z[s][1-iz]*b);
+	    axpby(ps_f[s],z[s][iz],as,r_f,ps_f[s]);
+	  }
+	}
+      }
+      AXPYTimer.Stop();
+
+      cp=c;
+      PrecChangeTimer.Start();
+      precisionChangeFast(p_f, p_d); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+      PrecChangeTimer.Start();
+      precisionChangeFast(mmp_d, mmp_f); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      RealD rn = norm2(p_d);
+      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 single precision solutions
+      AXPYTimer.Start();
+      for(int s=0;s<nshift;s++){
+	int ss = s;
+	if( (!converged[s]) ) { 
+	  axpy(psi_f[ss],-bs[s]*alpha[s],ps_f[s],psi_f[ss]);
+	}
+      }
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+      AXPYTimer.Stop();
+    
+      // 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<rsqf[s]){
+	    if ( ! converged[s] )
+	      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrecCleanup k="<<k<<" Shift "<<s<<" has converged"<<std::endl;
+	    converged[s]=1;
+	  } else {
+	    all_converged=0;
+	  }
+
+	}
+      }
+
+      if ( all_converged || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	for(int s=0;s<nshift;s++){
+	  precisionChangeFast(psi_d[s],psi_f[s]);
+	}
+
+	
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrecCleanup: Not all shifts have converged iteration "<<k<<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<<"ConjugateGradientMultiShiftMixedPrecCleanup: 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<<"ConjugateGradientMultiShiftMixedPrecCleanup: 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 << "ConjugateGradientMultiShiftMixedPrecCleanup: 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;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

@@ -0,0 +1,416 @@
+/*************************************************************************************
+
+    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 MaxIterationsMshift;
+  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) : 
+    MaxIterationsMshift(maxit),  shifts(_shifts), SinglePrecGrid(_SinglePrecGrid), Linop_f(_Linop_f), ReliableUpdateFreq(_ReliableUpdateFreq),
+    MaxIterations(20000)
+  { 
+    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)
+  { 
+    GRID_TRACE("ConjugateGradientMultiShiftMixedPrec");
+    GridBase *DoublePrecGrid = src_d.Grid();
+
+    precisionChangeWorkspace pc_wk_s_to_d(DoublePrecGrid,SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_d_to_s(SinglePrecGrid,DoublePrecGrid);
+    
+    ////////////////////////////////////////////////////////////////////////
+    // 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  rsqf[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 p_f(SinglePrecGrid);
+    FieldF mmp_f(SinglePrecGrid);
+
+    // 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];
+      rsqf[s] =rsq[s];
+      std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec: shift "<< s <<" target resid "<<rsq[s]<<std::endl;
+      ps_d[s] = src_d;
+    }
+    // r and p for primary
+    p_d = src_d; //primary copy --- make this a reference to ps_d to save axpys
+    r_d = p_d;
+    
+    //MdagM+m[0]
+    precisionChange(p_f, p_d, pc_wk_d_to_s);
+
+    Linop_f.HermOpAndNorm(p_f,mmp_f,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    precisionChange(tmp_d, mmp_f, pc_wk_s_to_d);
+    Linop_d.HermOpAndNorm(p_d,mmp_d,d,qq); // mmp = MdagM p        d=real(dot(p, mmp)),  qq=norm2(mmp)
+    tmp_d = tmp_d - mmp_d;
+    std::cout << " Testing operators match "<<norm2(mmp_d)<<" f "<<norm2(mmp_f)<<" diff "<< norm2(tmp_d)<<std::endl;
+    //    assert(norm2(tmp_d)< 1.0e-4);
+
+    axpy(mmp_d,mass[0],p_d,mmp_d);
+    RealD rn = norm2(p_d);
+    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_d,b,mmp_d,r_d);
+  
+    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<=MaxIterationsMshift;k++){    
+
+      a = c /cp;
+      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, pc_wk_d_to_s); //get back single prec search direction for linop
+      PrecChangeTimer.Stop();
+
+      cp=c;
+      MatrixTimer.Start();  
+      Linop_f.HermOp(p_f,mmp_f);
+      MatrixTimer.Stop();  
+
+      PrecChangeTimer.Start();
+      precisionChange(mmp_d, mmp_f, pc_wk_s_to_d); // From Float to Double
+      PrecChangeTimer.Stop();
+
+      AXPYTimer.Start();
+      d=real(innerProduct(p_d,mmp_d));    
+      axpy(mmp_d,mass[0],p_d,mmp_d);
+      AXPYTimer.Stop();
+      RealD rn = norm2(p_d);
+      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
+      c = axpy_norm(r_d,b,mmp_d,r_d);
+
+      AXPYTimer.Stop();
+
+      if(k % ReliableUpdateFreq == 0){
+	RealD c_old = c;
+	//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);
+
+	c = axpy_norm(r_d, -1.0, mmp_d, src_d);
+	AXPYTimer.Stop();
+
+	std::cout<<GridLogMessage<<"ConjugateGradientMultiShiftMixedPrec k="<<k<< ", replaced |r|^2 = "<<c_old <<" with |r|^2 = "<<c<<std::endl;
+      }
+    
+      // 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<rsqf[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 || k == MaxIterationsMshift-1){
+
+	SolverTimer.Stop();
+
+	if ( all_converged ){
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: All shifts have converged iteration "<<k<<std::endl;
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Checking solutions"<<std::endl;
+	} else {
+	  std::cout<<GridLogMessage<< "ConjugateGradientMultiShiftMixedPrec: Not all shifts have converged iteration "<<k<<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;
+      }
+   
+    }
+    std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
+    assert(0);
+  }
+
+};
+NAMESPACE_END(Grid);
+#endif

Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h

@@ -48,7 +48,7 @@ public:
   LinearOperatorBase<FieldF> &Linop_f;
   LinearOperatorBase<FieldD> &Linop_d;
   GridBase* SinglePrecGrid;
-  RealD Delta; //reliable update parameter
+  RealD Delta; //reliable update parameter. A reliable update is performed when the residual drops by a factor of Delta relative to its value at the last update
 
   //Optional ability to switch to a different linear operator once the tolerance reaches a certain point. Useful for single/half -> single/single
   LinearOperatorBase<FieldF> *Linop_fallback;
@@ -65,7 +65,9 @@ public:
       ErrorOnNoConverge(err_on_no_conv),
       DoFinalCleanup(true),
       Linop_fallback(NULL)
-  {};
+  {
+    assert(Delta > 0. && Delta < 1. && "Expect  0 < Delta < 1");
+  };
 
   void setFallbackLinop(LinearOperatorBase<FieldF> &_Linop_fallback, const RealD _fallback_transition_tol){
     Linop_fallback = &_Linop_fallback;
@@ -73,6 +75,7 @@ public:
   }
     
   void operator()(const FieldD &src, FieldD &psi) {
+    GRID_TRACE("ConjugateGradientReliableUpdate");
     LinearOperatorBase<FieldF> *Linop_f_use = &Linop_f;
     bool using_fallback = false;
       
@@ -115,9 +118,12 @@ public:
     }
 
     //Single prec initialization
+    precisionChangeWorkspace pc_wk_sp_to_dp(src.Grid(), SinglePrecGrid);
+    precisionChangeWorkspace pc_wk_dp_to_sp(SinglePrecGrid, src.Grid());
+    
     FieldF r_f(SinglePrecGrid);
     r_f.Checkerboard() = r.Checkerboard();
-    precisionChange(r_f, r);
+    precisionChange(r_f, r, pc_wk_dp_to_sp);
 
     FieldF psi_f(r_f);
     psi_f = Zero();
@@ -133,6 +139,7 @@ public:
     GridStopWatch LinalgTimer;
     GridStopWatch MatrixTimer;
     GridStopWatch SolverTimer;
+    GridStopWatch PrecChangeTimer;
     
     SolverTimer.Start();
     int k = 0;
@@ -172,7 +179,9 @@ public:
       // Stopping condition
       if (cp <= rsq) {
 	//Although not written in the paper, I assume that I have to add on the final solution
-	precisionChange(mmp, psi_f);
+	PrecChangeTimer.Start();
+	precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
+	PrecChangeTimer.Stop();
 	psi = psi + mmp;
 	
 	
@@ -193,6 +202,9 @@ public:
 	std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed() <<std::endl;
 	std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed() <<std::endl;
 	std::cout << GridLogMessage << "\tLinalg     " << LinalgTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tPrecChange " << PrecChangeTimer.Elapsed() <<std::endl;
+	std::cout << GridLogMessage << "\tPrecChange avg time " << PrecChangeTimer.Elapsed()/(2*l+1) <<std::endl;
+
 	
 	IterationsToComplete = k;	
 	ReliableUpdatesPerformed = l;
@@ -213,14 +225,21 @@ public:
       else if(cp < Delta * MaxResidSinceLastRelUp) { //reliable update
 	std::cout << GridLogMessage << "ConjugateGradientReliableUpdate "
 		  << cp << "(residual) < " << Delta << "(Delta) * " << MaxResidSinceLastRelUp << "(MaxResidSinceLastRelUp) on iteration " << k << " : performing reliable update\n";
-	precisionChange(mmp, psi_f);
+	PrecChangeTimer.Start();
+	precisionChange(mmp, psi_f, pc_wk_sp_to_dp);
+	PrecChangeTimer.Stop();
 	psi = psi + mmp;
 
+	MatrixTimer.Start();
 	Linop_d.HermOpAndNorm(psi, mmp, d, qq);
+	MatrixTimer.Stop();
+	
 	r = src - mmp;
 
 	psi_f = Zero();
-	precisionChange(r_f, r);
+	PrecChangeTimer.Start();
+	precisionChange(r_f, r, pc_wk_dp_to_sp);
+	PrecChangeTimer.Stop();
 	cp = norm2(r);
 	MaxResidSinceLastRelUp = cp;
 

Grid/algorithms/iterative/LocalCoherenceLanczos.h

@@ -44,6 +44,7 @@ public:
 				  int, MinRes);    // Must restart
 };
 
+//This class is the input parameter class for some testing programs
 struct LocalCoherenceLanczosParams : Serializable {
 public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
@@ -146,15 +147,23 @@ public:
   RealD                             _coarse_relax_tol;
   std::vector<FineField>        &_subspace;
 
+  int _largestEvalIdxForReport; //The convergence of the LCL is based on the evals of the coarse grid operator, not those of the underlying fine grid operator
+                                //As a result we do not know what the eval range of the fine operator is until the very end, making tuning the Cheby bounds very difficult
+                                //To work around this issue, every restart we separately reconstruct the fine operator eval for the lowest and highest evec and print these
+                                //out alongside the evals of the coarse operator. To do so we need to know the index of the largest eval (i.e. Nstop-1)
+                                //NOTE: If largestEvalIdxForReport=-1 (default) then this is not performed
+  
   ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
 					   OperatorFunction<FineField>   &smoother,
 					   LinearOperatorBase<FineField> &Linop,
 					   std::vector<FineField>        &subspace,
-					   RealD coarse_relax_tol=5.0e3) 
+					   RealD coarse_relax_tol=5.0e3,
+					   int largestEvalIdxForReport=-1) 
     : _smoother(smoother), _Linop(Linop), _Poly(Poly), _subspace(subspace),
-      _coarse_relax_tol(coarse_relax_tol)  
+      _coarse_relax_tol(coarse_relax_tol), _largestEvalIdxForReport(largestEvalIdxForReport)
   {    };
 
+  //evalMaxApprox: approximation of largest eval of the fine Chebyshev operator (suitably wrapped by block projection)
   int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
     CoarseField v(B);
@@ -177,12 +186,26 @@ public:
 	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
 	     <<std::endl;
 
+    if(_largestEvalIdxForReport != -1 && (j==0 || j==_largestEvalIdxForReport)){
+      std::cout<<GridLogIRL << "Estimating true eval of fine grid operator for eval idx " << j << std::endl;
+      RealD tmp_eval;
+      ReconstructEval(j,eresid,B,tmp_eval,1.0); //don't use evalMaxApprox of coarse operator! (cf below)
+    }
+    
     int conv=0;
     if( (vv<eresid*eresid) ) conv = 1;
     return conv;
   }
+
+  //This function is called at the end of the coarse grid Lanczos. It promotes the coarse eigenvector 'B' to the fine grid,
+  //applies a smoother to the result then computes the computes the *fine grid* eigenvalue (output as 'eval').
+
+  //evalMaxApprox should be the approximation of the largest eval of the fine Hermop. However when this function is called by IRL it actually passes the largest eval of the *Chebyshev* operator (as this is the max approx used for the TestConvergence above)
+  //As the largest eval of the Chebyshev is typically several orders of magnitude larger this makes the convergence test pass even when it should not.
+  //We therefore ignore evalMaxApprox here and use a value of 1.0 (note this value is already used by TestCoarse)
   int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)  
   {
+    evalMaxApprox = 1.0; //cf above
     GridBase *FineGrid = _subspace[0].Grid();    
     int checkerboard   = _subspace[0].Checkerboard();
     FineField fB(FineGrid);fB.Checkerboard() =checkerboard;
@@ -201,13 +224,13 @@ public:
     eval   = vnum/vden;
     fv -= eval*fB;
     RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     
     std::cout.precision(13);
     std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
 	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
-	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv << " target " << eresid*eresid
 	     <<std::endl;
-    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     if( (vv<eresid*eresid) ) return 1;
     return 0;
   }
@@ -285,6 +308,10 @@ public:
     evals_coarse.resize(0);
   };
 
+  //The block inner product is the inner product on the fine grid locally summed over the blocks
+  //to give a Lattice<Scalar> on the coarse grid. This function orthnormalizes the fine-grid subspace
+  //vectors under the block inner product. This step must be performed after computing the fine grid
+  //eigenvectors and before computing the coarse grid eigenvectors.    
   void Orthogonalise(void ) {
     CoarseScalar InnerProd(_CoarseGrid);
     std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
@@ -328,6 +355,8 @@ public:
     }
   }
 
+  //While this method serves to check the coarse eigenvectors, it also recomputes the eigenvalues from the smoothed reconstructed eigenvectors
+  //hence the smoother can be tuned after running the coarse Lanczos by using a different smoother here
   void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
   {
     assert(evals_fine.size() == nbasis);
@@ -376,25 +405,31 @@ public:
     evals_fine.resize(nbasis);
     subspace.resize(nbasis,_FineGrid);
   }
+
+
+  //cheby_op: Parameters of the fine grid Chebyshev polynomial used for the Lanczos acceleration
+  //cheby_smooth: Parameters of a separate Chebyshev polynomial used after the Lanczos has completed to smooth out high frequency noise in the reconstructed fine grid eigenvectors prior to computing the eigenvalue
+  //relax: Reconstructed eigenvectors (post smoothing) are naturally not as precise as true eigenvectors. This factor acts as a multiplier on the stopping condition when determining whether the results satisfy the user provided stopping condition
   void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
 		  int Nstop, int Nk, int Nm,RealD resid, 
 		  RealD MaxIt, RealD betastp, int MinRes)
   {
-    Chebyshev<FineField>                          Cheby(cheby_op);
+    Chebyshev<FineField>                          Cheby(cheby_op); //Chebyshev of fine operator on fine grid
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace); //Fine operator on coarse grid with intermediate fine grid conversion
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace); //Chebyshev of fine operator on coarse grid with intermediate fine grid conversion
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
-    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth); //lower order Chebyshev of fine operator on fine grid used to smooth regenerated eigenvectors
-    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax,Nstop-1); 
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);
 
     CoarseField src(_CoarseGrid);     src=1.0; 
 
+    //Note the "tester" here is also responsible for generating the fine grid eigenvalues which are output into the "evals_coarse" array
     ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
     int Nconv=0;
     IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
@@ -405,6 +440,14 @@ public:
       std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
     }
   }
+
+  //Get the fine eigenvector 'i' by reconstruction
+  void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
+    blockPromote(evec_coarse[i],evec,subspace);  
+    eval = evals_coarse[i];
+  }
+    
+    
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/PowerMethod.h

@@ -30,6 +30,8 @@ template<class Field> class PowerMethod
       RealD vden = norm2(src_n); 
       RealD na = vnum/vden; 
 
+      std::cout << GridLogIterative << "PowerMethod: Current approximation of largest eigenvalue " << na << std::endl;
+      
       if ( (fabs(evalMaxApprox/na - 1.0) < 0.001) || (i==_MAX_ITER_EST_-1) ) { 
  	evalMaxApprox = na; 
 	std::cout << GridLogMessage << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;

Grid/allocator/MemoryManagerCache.cc

@@ -144,8 +144,8 @@ void MemoryManager::Evict(AcceleratorViewEntry &AccCache)
   mprintf("MemoryManager: Evict cpu %lx acc %lx cpuLock %ld accLock %ld\n",
 	  (uint64_t)AccCache.CpuPtr,(uint64_t)AccCache.AccPtr,
 	  (uint64_t)AccCache.cpuLock,(uint64_t)AccCache.accLock); 
-  assert(AccCache.accLock==0); // Cannot evict so logic bomb
+  if (AccCache.accLock!=0) return;
-  assert(AccCache.CpuPtr!=(uint64_t)NULL);
+  if (AccCache.cpuLock!=0) return;
   if(AccCache.state==AccDirty) {
     Flush(AccCache);
   }
@@ -532,6 +532,7 @@ void MemoryManager::Audit(std::string s)
     assert(AccCache.LRU_entry==it);
   }
   std::cout << " Memory Manager::Audit() LRU queue matches table entries "<<std::endl;
+
   for(auto it=AccViewTable.begin();it!=AccViewTable.end();it++){
     auto &AccCache = it->second;
     
@@ -548,6 +549,7 @@ void MemoryManager::Audit(std::string s)
     
     if ( AccCache.cpuLock || AccCache.accLock ) {
       assert(AccCache.LRU_valid==0);
+
       std::cout << GridLogError << s<< "\n\t 0x"<<std::hex<<AccCache.CpuPtr<<std::dec
 		<< "\t0x"<<std::hex<<AccCache.AccPtr<<std::dec<<"\t" <<str
 		<< "\t cpuLock  " << AccCache.cpuLock
@@ -566,6 +568,7 @@ void MemoryManager::Audit(std::string s)
   std::cout << " Memory Manager::Audit() device bytes matches sum over table "<<std::endl;
   assert(LruCnt == LRU.size());
   std::cout << " Memory Manager::Audit() LRU entry count matches "<<std::endl;
+
 }
 
 void MemoryManager::PrintState(void* _CpuPtr)

Grid/communicator/Communicator_base.h

@@ -53,10 +53,11 @@ public:
   // Communicator should know nothing of the physics grid, only processor grid.
   ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
-  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
   int              _processor;       // linear processor rank
-  Coordinate _processor_coor;  // linear processor coordinate
   unsigned long    _ndimension;
+  Coordinate _shm_processors;  // Which dimensions get relayed out over processors lanes.
+  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
+  Coordinate _processor_coor;  // linear processor coordinate
   static Grid_MPI_Comm      communicator_world;
   Grid_MPI_Comm             communicator;
   std::vector<Grid_MPI_Comm> communicator_halo;
@@ -97,6 +98,7 @@ 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)    ;
 
@@ -105,6 +107,7 @@ public:
   ////////////////////////////////////////////////////////////////////////////////
   static int  RankWorld(void) ;
   static void BroadcastWorld(int root,void* data, int bytes);
+  static void BarrierWorld(void);
   
   ////////////////////////////////////////////////////////////
   // Reduction
@@ -128,7 +131,7 @@ public:
   template<class obj> void GlobalSum(obj &o){
     typedef typename obj::scalar_type scalar_type;
     int words = sizeof(obj)/sizeof(scalar_type);
-    scalar_type * ptr = (scalar_type *)& o;
+    scalar_type * ptr = (scalar_type *)& o; // Safe alias 
     GlobalSumVector(ptr,words);
   }
   
@@ -142,17 +145,17 @@ public:
 		      int bytes);
   
   double StencilSendToRecvFrom(void *xmit,
-			       int xmit_to_rank,
+			       int xmit_to_rank,int do_xmit,
 			       void *recv,
-			       int recv_from_rank,
+			       int recv_from_rank,int do_recv,
 			       int bytes,int dir);
 
   double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 				    void *xmit,
-				    int xmit_to_rank,
+				    int xmit_to_rank,int do_xmit,
 				    void *recv,
-				    int recv_from_rank,
+				    int recv_from_rank,int do_recv,
-				    int bytes,int dir);
+				    int xbytes,int rbytes,int dir);
   
   
   void StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &waitall,int i);

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);
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm,_shm_processors);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
   ///////////////////////////////////////////////////
@@ -124,12 +124,13 @@ 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];
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -154,6 +155,7 @@ 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
@@ -335,23 +337,23 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 }
 // Basic Halo comms primitive
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int dest,
+						     int dest, int dox,
 						     void *recv,
-						     int from,
+						     int from, int dor,
 						     int bytes,int dir)
 {
   std::vector<CommsRequest_t> list;
-  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,dox,recv,from,dor,bytes,bytes,dir);
   StencilSendToRecvFromComplete(list,dir);
   return offbytes;
 }
 
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int dest,
+							 int dest,int dox,
 							 void *recv,
-							 int from,
+							 int from,int dor,
-							 int bytes,int dir)
+							 int xbytes,int rbytes,int dir)
 {
   int ncomm  =communicator_halo.size();
   int commdir=dir%ncomm;
@@ -370,37 +372,34 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   double off_node_bytes=0.0;
   int tag;
 
+  if ( dor ) {
     if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
       tag= dir+from*32;
-    ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
+      ierr=MPI_Irecv(recv, rbytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
       assert(ierr==0);
       list.push_back(rrq);
-    off_node_bytes+=bytes;
+      off_node_bytes+=rbytes;
+    }
   }
   
+  if (dox) {
     if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
       tag= dir+_processor*32;
-    ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
+      ierr =MPI_Isend(xmit, xbytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
       assert(ierr==0);
       list.push_back(xrq);
-    off_node_bytes+=bytes;
+      off_node_bytes+=xbytes;
     } else {
-    // 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,xbytes);
-    acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
+    }
   }
-
-  //  if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
-  //    this->StencilSendToRecvFromComplete(list,dir);
-  //  }
 
   return off_node_bytes;
 }
 void CartesianCommunicator::StencilSendToRecvFromComplete(std::vector<CommsRequest_t> &list,int dir)
 {
-  //   std::cout << "Copy Synchronised\n"<<std::endl;
   int nreq=list.size();
 
   if (nreq==0) return;
@@ -436,6 +435,10 @@ int CartesianCommunicator::RankWorld(void){
   MPI_Comm_rank(communicator_world,&r);
   return r;
 }
+void CartesianCommunicator::BarrierWorld(void){
+  int ierr = MPI_Barrier(communicator_world);
+  assert(ierr==0);
+}
 void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes)
 {
   int ierr= MPI_Bcast(data,

Grid/communicator/Communicator_none.cc

@@ -45,12 +45,14 @@ 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);
@@ -102,6 +104,7 @@ int  CartesianCommunicator::RankWorld(void){return 0;}
 void CartesianCommunicator::Barrier(void){}
 void CartesianCommunicator::Broadcast(int root,void* data, int bytes) {}
 void CartesianCommunicator::BroadcastWorld(int root,void* data, int bytes) { }
+void CartesianCommunicator::BarrierWorld(void) { }
 int  CartesianCommunicator::RankFromProcessorCoor(Coordinate &coor) {  return 0;}
 void CartesianCommunicator::ProcessorCoorFromRank(int rank, Coordinate &coor){  coor = _processor_coor; }
 void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest)
@@ -111,19 +114,19 @@ void CartesianCommunicator::ShiftedRanks(int dim,int shift,int &source,int &dest
 }
 
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int xmit_to_rank,
+						     int xmit_to_rank,int dox,
 						     void *recv,
-						     int recv_from_rank,
+						     int recv_from_rank,int dor,
 						     int bytes, int dir)
 {
   return 2.0*bytes;
 }
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int xmit_to_rank,
+							 int xmit_to_rank,int dox,
 							 void *recv,
-							 int recv_from_rank,
+							 int recv_from_rank,int dor,
-							 int bytes, int dir)
+							 int xbytes,int rbytes, int dir)
 {
   return 2.0*bytes;
 }

Grid/communicator/SharedMemory.h

@@ -93,9 +93,10 @@ 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
-  static void OptimalCommunicator            (const Coordinate &processors,Grid_MPI_Comm & optimal_comm);  // Turns MPI_COMM_WORLD into right layout for Cartesian
+  // Turns MPI_COMM_WORLD into right layout for Cartesian
-  static void OptimalCommunicatorHypercube   (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 OptimalCommunicatorSharedMemory(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,Coordinate &ShmDims); 
   static void GetShmDims(const Coordinate &WorldDims,Coordinate &ShmDims);
   ///////////////////////////////////////////////////
   // Provide shared memory facilities off comm world

Grid/communicator/SharedMemoryMPI.cc

@@ -29,6 +29,7 @@ Author: Christoph Lehner <christoph@lhnr.de>
 
 #include <Grid/GridCore.h>
 #include <pwd.h>
+#include <syscall.h>
 
 #ifdef GRID_CUDA
 #include <cuda_runtime_api.h>
@@ -153,7 +154,7 @@ int Log2Size(int TwoToPower,int MAXLOG2)
   }
   return log2size;
 }
-void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicator(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   //////////////////////////////////////////////////////////////////////////////
   // Look and see if it looks like an HPE 8600 based on hostname conventions
@@ -166,8 +167,8 @@ 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);
+  if(nscan==3 && HPEhypercube ) OptimalCommunicatorHypercube(processors,optimal_comm,SHM);
-  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm);
+  else                          OptimalCommunicatorSharedMemory(processors,optimal_comm,SHM);
 }
 static inline int divides(int a,int b)
 {
@@ -222,7 +223,7 @@ void GlobalSharedMemory::GetShmDims(const Coordinate &WorldDims,Coordinate &ShmD
     dim=(dim+1) %ndimension;
   }
 }
-void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm)
+void GlobalSharedMemory::OptimalCommunicatorHypercube(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
   // Assert power of two shm_size.
@@ -295,6 +296,7 @@ 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 +344,7 @@ 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)
+void GlobalSharedMemory::OptimalCommunicatorSharedMemory(const Coordinate &processors,Grid_MPI_Comm & optimal_comm,Coordinate &SHM)
 {
   ////////////////////////////////////////////////////////////////
   // Identify subblock of ranks on node spreading across dims
@@ -354,6 +356,8 @@ 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
   ////////////////////////////////////////////////////////////////
@@ -521,7 +525,7 @@ void GlobalSharedMemory::SharedMemoryAllocate(uint64_t bytes, int flags)
   }
   if ( WorldRank == 0 ){
     std::cout << WorldRank << header " SharedMemoryMPI.cc acceleratorAllocDevice "<< bytes 
-	      << "bytes at "<< std::hex<< ShmCommBuf <<std::dec<<" for comms buffers " <<std::endl;
+	      << "bytes at "<< std::hex<< ShmCommBuf << " - "<<(bytes-1+(uint64_t)ShmCommBuf) <<std::dec<<" for comms buffers " <<std::endl;
   }
   SharedMemoryZero(ShmCommBuf,bytes);
   std::cout<< "Setting up IPC"<<std::endl;

Grid/communicator/SharedMemoryNone.cc

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

Grid/lattice/Lattice_ET.h

@@ -63,7 +63,7 @@ accelerator_inline vobj predicatedWhere(const iobj &predicate,
   typename std::remove_const<vobj>::type ret;
 
   typedef typename vobj::scalar_object scalar_object;
-  typedef typename vobj::scalar_type scalar_type;
+  //  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   const int Nsimd = vobj::vector_type::Nsimd();

Grid/lattice/Lattice_arith.h

@@ -36,6 +36,7 @@ NAMESPACE_BEGIN(Grid);
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 template<class obj1,class obj2,class obj3> inline
 void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mult");
   ret.Checkerboard() = lhs.Checkerboard();
   autoView( ret_v , ret, AcceleratorWrite);
   autoView( lhs_v , lhs, AcceleratorRead);
@@ -53,6 +54,7 @@ void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mac");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(ret,rhs);
   conformable(lhs,rhs);
@@ -70,6 +72,7 @@ void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("sub");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(ret,rhs);
   conformable(lhs,rhs);
@@ -86,6 +89,7 @@ void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
 }
 template<class obj1,class obj2,class obj3> inline
 void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("add");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(ret,rhs);
   conformable(lhs,rhs);
@@ -106,6 +110,7 @@ void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const Lattice<obj3> &rhs){
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 template<class obj1,class obj2,class obj3> inline
 void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("mult");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(lhs,ret);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -119,6 +124,7 @@ void mult(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("mac");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(ret,lhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -133,6 +139,7 @@ void mac(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("sub");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(ret,lhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -146,6 +153,7 @@ void sub(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
 }
 template<class obj1,class obj2,class obj3> inline
 void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
+  GRID_TRACE("add");
   ret.Checkerboard() = lhs.Checkerboard();
   conformable(lhs,ret);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -163,6 +171,7 @@ void add(Lattice<obj1> &ret,const Lattice<obj2> &lhs,const obj3 &rhs){
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 template<class obj1,class obj2,class obj3> inline
 void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mult");
   ret.Checkerboard() = rhs.Checkerboard();
   conformable(ret,rhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -177,6 +186,7 @@ void mult(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("mac");
   ret.Checkerboard() = rhs.Checkerboard();
   conformable(ret,rhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -191,6 +201,7 @@ void mac(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 template<class obj1,class obj2,class obj3> inline
 void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("sub");
   ret.Checkerboard() = rhs.Checkerboard();
   conformable(ret,rhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -204,6 +215,7 @@ void sub(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
 }
 template<class obj1,class obj2,class obj3> inline
 void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
+  GRID_TRACE("add");
   ret.Checkerboard() = rhs.Checkerboard();
   conformable(ret,rhs);
   autoView( ret_v , ret, AcceleratorWrite);
@@ -218,6 +230,7 @@ void add(Lattice<obj1> &ret,const obj2 &lhs,const Lattice<obj3> &rhs){
   
 template<class sobj,class vobj> inline
 void axpy(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y){
+  GRID_TRACE("axpy");
   ret.Checkerboard() = x.Checkerboard();
   conformable(ret,x);
   conformable(x,y);
@@ -231,6 +244,7 @@ void axpy(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &
 }
 template<class sobj,class vobj> inline
 void axpby(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y){
+  GRID_TRACE("axpby");
   ret.Checkerboard() = x.Checkerboard();
   conformable(ret,x);
   conformable(x,y);
@@ -246,11 +260,13 @@ void axpby(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice
 template<class sobj,class vobj> inline
 RealD axpy_norm(Lattice<vobj> &ret,sobj a,const Lattice<vobj> &x,const Lattice<vobj> &y)
 {
+  GRID_TRACE("axpy_norm");
     return axpy_norm_fast(ret,a,x,y);
 }
 template<class sobj,class vobj> inline
 RealD axpby_norm(Lattice<vobj> &ret,sobj a,sobj b,const Lattice<vobj> &x,const Lattice<vobj> &y)
 {
+  GRID_TRACE("axpby_norm");
     return axpby_norm_fast(ret,a,b,x,y);
 }
 

Grid/lattice/Lattice_base.h

@@ -117,6 +117,7 @@ public:
   ////////////////////////////////////////////////////////////////////////////////
   template <typename Op, typename T1> inline Lattice<vobj> & operator=(const LatticeUnaryExpression<Op,T1> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
@@ -140,6 +141,7 @@ public:
   }
   template <typename Op, typename T1,typename T2> inline Lattice<vobj> & operator=(const LatticeBinaryExpression<Op,T1,T2> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);
@@ -163,6 +165,7 @@ public:
   }
   template <typename Op, typename T1,typename T2,typename T3> inline Lattice<vobj> & operator=(const LatticeTrinaryExpression<Op,T1,T2,T3> &expr)
   {
+    GRID_TRACE("ExpressionTemplateEval");
     GridBase *egrid(nullptr);
     GridFromExpression(egrid,expr);
     assert(egrid!=nullptr);

Grid/lattice/Lattice_matrix_reduction.h

@@ -32,7 +32,6 @@ template<class vobj>
 static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,const Lattice<vobj> &Y,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -82,7 +81,6 @@ template<class vobj>
 static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -130,7 +128,6 @@ template<class vobj>
 static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int Orthog) 
 {
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
   
   GridBase *FullGrid  = lhs.Grid();

Grid/lattice/Lattice_peekpoke.h

@@ -96,9 +96,6 @@ void pokeSite(const sobj &s,Lattice<vobj> &l,const Coordinate &site){
 
   GridBase *grid=l.Grid();
 
-  typedef typename vobj::scalar_type scalar_type;
-  typedef typename vobj::vector_type vector_type;
-
   int Nsimd = grid->Nsimd();
 
   assert( l.Checkerboard()== l.Grid()->CheckerBoard(site));
@@ -125,14 +122,17 @@ void pokeSite(const sobj &s,Lattice<vobj> &l,const Coordinate &site){
 //////////////////////////////////////////////////////////
 // Peek a scalar object from the SIMD array
 //////////////////////////////////////////////////////////
+template<class vobj>
+typename vobj::scalar_object peekSite(const Lattice<vobj> &l,const Coordinate &site){
+  typename vobj::scalar_object s;
+  peekSite(s,l,site);
+  return s;
+}        
 template<class vobj,class sobj>
 void peekSite(sobj &s,const Lattice<vobj> &l,const Coordinate &site){
         
   GridBase *grid=l.Grid();
 
-  typedef typename vobj::scalar_type scalar_type;
-  typedef typename vobj::vector_type vector_type;
-
   int Nsimd = grid->Nsimd();
 
   assert( l.Checkerboard() == l.Grid()->CheckerBoard(site));
@@ -173,11 +173,11 @@ inline void peekLocalSite(sobj &s,const LatticeView<vobj> &l,Coordinate &site)
   idx= grid->iIndex(site);
   odx= grid->oIndex(site);
   
-  scalar_type * vp = (scalar_type *)&l[odx];
+  const vector_type *vp = (const vector_type *) &l[odx];
   scalar_type * pt = (scalar_type *)&s;
       
   for(int w=0;w<words;w++){
-    pt[w] = vp[idx+w*Nsimd];
+    pt[w] = getlane(vp[w],idx);
   }
       
   return;
@@ -210,10 +210,10 @@ inline void pokeLocalSite(const sobj &s,LatticeView<vobj> &l,Coordinate &site)
   idx= grid->iIndex(site);
   odx= grid->oIndex(site);
 
-  scalar_type * vp = (scalar_type *)&l[odx];
+  vector_type * vp = (vector_type *)&l[odx];
   scalar_type * pt = (scalar_type *)&s;
   for(int w=0;w<words;w++){
-    vp[idx+w*Nsimd] = pt[w];
+    putlane(vp[w],pt[w],idx);
   }
   return;
 };

Grid/lattice/Lattice_reduction.h

@@ -94,10 +94,7 @@ inline typename vobj::scalar_objectD sumD_cpu(const vobj *arg, Integer osites)
   for(int i=0;i<nthread;i++){
     ssum = ssum+sumarray[i];
   } 
-  
+  return ssum;
-  typedef typename vobj::scalar_object ssobj;
-  ssobj ret = ssum;
-  return ret;
 }
 /*
 Threaded max, don't use for now
@@ -236,7 +233,6 @@ template<class vobj> inline RealD maxLocalNorm2(const Lattice<vobj> &arg)
 template<class vobj>
 inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &right)
 {
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_typeD vector_type;
   ComplexD  nrm;
   
@@ -246,6 +242,7 @@ inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &
   const uint64_t sites = grid->oSites();
   
   // Might make all code paths go this way.
+#if 0
   typedef decltype(innerProductD(vobj(),vobj())) inner_t;
   Vector<inner_t> inner_tmp(sites);
   auto inner_tmp_v = &inner_tmp[0];
@@ -254,15 +251,31 @@ inline ComplexD rankInnerProduct(const Lattice<vobj> &left,const Lattice<vobj> &
     autoView( right_v,right, AcceleratorRead);
     // This code could read coalesce
     // GPU - SIMT lane compliance...
-    accelerator_for( ss, sites, 1,{
+    accelerator_for( ss, sites, nsimd,{
-	auto x_l = left_v[ss];
+	auto x_l = left_v(ss);
-	auto y_l = right_v[ss];
+	auto y_l = right_v(ss);
-	inner_tmp_v[ss]=innerProductD(x_l,y_l);
+	coalescedWrite(inner_tmp_v[ss],innerProductD(x_l,y_l));
     });
   }
+#else
+  typedef decltype(innerProduct(vobj(),vobj())) inner_t;
+  Vector<inner_t> inner_tmp(sites);
+  auto inner_tmp_v = &inner_tmp[0];
     
+  {
+    autoView( left_v , left, AcceleratorRead);
+    autoView( right_v,right, AcceleratorRead);
+
+    // GPU - SIMT lane compliance...
+    accelerator_for( ss, sites, nsimd,{
+	auto x_l = left_v(ss);
+	auto y_l = right_v(ss);
+	coalescedWrite(inner_tmp_v[ss],innerProduct(x_l,y_l));
+    });
+  }
+#endif
   // This is in single precision and fails some tests
-  auto anrm = sum(inner_tmp_v,sites);  
+  auto anrm = sumD(inner_tmp_v,sites);  
   nrm = anrm;
   return nrm;
 }
@@ -295,8 +308,7 @@ axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Latt
   conformable(z,x);
   conformable(x,y);
 
-  typedef typename vobj::scalar_type scalar_type;
+  //  typedef typename vobj::vector_typeD vector_type;
-  typedef typename vobj::vector_typeD vector_type;
   RealD  nrm;
   
   GridBase *grid = x.Grid();
@@ -308,17 +320,29 @@ axpby_norm_fast(Lattice<vobj> &z,sobj a,sobj b,const Lattice<vobj> &x,const Latt
   autoView( x_v, x, AcceleratorRead);
   autoView( y_v, y, AcceleratorRead);
   autoView( z_v, z, AcceleratorWrite);
-
+#if 0
   typedef decltype(innerProductD(x_v[0],y_v[0])) inner_t;
   Vector<inner_t> inner_tmp(sites);
   auto inner_tmp_v = &inner_tmp[0];
 
-  accelerator_for( ss, sites, 1,{
+  accelerator_for( ss, sites, nsimd,{
-      auto tmp = a*x_v[ss]+b*y_v[ss];
+      auto tmp = a*x_v(ss)+b*y_v(ss);
-      inner_tmp_v[ss]=innerProductD(tmp,tmp);
+      coalescedWrite(inner_tmp_v[ss],innerProductD(tmp,tmp));
-      z_v[ss]=tmp;
+      coalescedWrite(z_v[ss],tmp);
   });
   nrm = real(TensorRemove(sum(inner_tmp_v,sites)));
+#else
+  typedef decltype(innerProduct(x_v[0],y_v[0])) inner_t;
+  Vector<inner_t> inner_tmp(sites);
+  auto inner_tmp_v = &inner_tmp[0];
+
+  accelerator_for( ss, sites, nsimd,{
+      auto tmp = a*x_v(ss)+b*y_v(ss);
+      coalescedWrite(inner_tmp_v[ss],innerProduct(tmp,tmp));
+      coalescedWrite(z_v[ss],tmp);
+  });
+  nrm = real(TensorRemove(sumD(inner_tmp_v,sites)));
+#endif
   grid->GlobalSum(nrm);
   return nrm; 
 }
@@ -328,7 +352,6 @@ innerProductNorm(ComplexD& ip, RealD &nrm, const Lattice<vobj> &left,const Latti
 {
   conformable(left,right);
 
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_typeD vector_type;
   Vector<ComplexD> tmp(2);
 
@@ -472,6 +495,14 @@ template<class vobj> inline void sliceSum(const Lattice<vobj> &Data,std::vector<
   int words = fd*sizeof(sobj)/sizeof(scalar_type);
   grid->GlobalSumVector(ptr, words);
 }
+template<class vobj> inline
+std::vector<typename vobj::scalar_object> 
+sliceSum(const Lattice<vobj> &Data,int orthogdim)
+{
+  std::vector<typename vobj::scalar_object> result;
+  sliceSum(Data,result,orthogdim);
+  return result;
+}
 
 template<class vobj>
 static void sliceInnerProductVector( std::vector<ComplexD> & result, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int orthogdim) 
@@ -577,6 +608,7 @@ template<class vobj>
 static void sliceMaddVector(Lattice<vobj> &R,std::vector<RealD> &a,const Lattice<vobj> &X,const Lattice<vobj> &Y,
 			    int orthogdim,RealD scale=1.0) 
 {
+  // perhaps easier to just promote A to a field and use regular madd
   typedef typename vobj::scalar_object sobj;
   typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
@@ -607,8 +639,7 @@ static void sliceMaddVector(Lattice<vobj> &R,std::vector<RealD> &a,const Lattice
     for(int l=0;l<Nsimd;l++){
       grid->iCoorFromIindex(icoor,l);
       int ldx =r+icoor[orthogdim]*rd;
-      scalar_type *as =(scalar_type *)&av;
+      av.putlane(scalar_type(a[ldx])*zscale,l);
-      as[l] = scalar_type(a[ldx])*zscale;
     }
 
     tensor_reduced at; at=av;
@@ -648,7 +679,6 @@ template<class vobj>
 static void sliceMaddMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,const Lattice<vobj> &Y,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -702,7 +732,6 @@ template<class vobj>
 static void sliceMulMatrix (Lattice<vobj> &R,Eigen::MatrixXcd &aa,const Lattice<vobj> &X,int Orthog,RealD scale=1.0) 
 {    
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
 
   int Nblock = X.Grid()->GlobalDimensions()[Orthog];
@@ -756,7 +785,6 @@ template<class vobj>
 static void sliceInnerProductMatrix(  Eigen::MatrixXcd &mat, const Lattice<vobj> &lhs,const Lattice<vobj> &rhs,int Orthog) 
 {
   typedef typename vobj::scalar_object sobj;
-  typedef typename vobj::scalar_type scalar_type;
   typedef typename vobj::vector_type vector_type;
   
   GridBase *FullGrid  = lhs.Grid();

Grid/lattice/Lattice_reduction_gpu.h

@@ -211,13 +211,25 @@ inline typename vobj::scalar_objectD sumD_gpu_small(const vobj *lat, Integer osi
   assert(ok);
 
   Integer smemSize = numThreads * sizeof(sobj);
-
+  // Move out of UVM
+  // Turns out I had messed up the synchronise after move to compute stream
+  // as running this on the default stream fools the synchronise
+#undef UVM_BLOCK_BUFFER  
+#ifndef UVM_BLOCK_BUFFER  
+  commVector<sobj> buffer(numBlocks);
+  sobj *buffer_v = &buffer[0];
+  sobj result;
+  reduceKernel<<< numBlocks, numThreads, smemSize, computeStream >>>(lat, buffer_v, size);
+  accelerator_barrier();
+  acceleratorCopyFromDevice(buffer_v,&result,sizeof(result));
+#else
   Vector<sobj> buffer(numBlocks);
   sobj *buffer_v = &buffer[0];
-  
+  sobj result;
-  reduceKernel<<< numBlocks, numThreads, smemSize >>>(lat, buffer_v, size);
+  reduceKernel<<< numBlocks, numThreads, smemSize, computeStream >>>(lat, buffer_v, size);
   accelerator_barrier();
-  auto result = buffer_v[0];
+  result = *buffer_v;
+#endif
   return result;
 }
 
@@ -250,8 +262,6 @@ inline typename vobj::scalar_objectD sumD_gpu_large(const vobj *lat, Integer osi
 template <class vobj>
 inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
 {
-  typedef typename vobj::vector_type  vector;
-  typedef typename vobj::scalar_typeD scalarD;
   typedef typename vobj::scalar_objectD sobj;
   sobj ret;
   

Grid/lattice/Lattice_rng.h

@@ -424,9 +424,33 @@ public:
     // MT implementation does not implement fast discard even though
     // in principle this is possible
     ////////////////////////////////////////////////
+#if 1
+    thread_for( lidx, _grid->lSites(), {
 
+	int gidx;
+	int o_idx;
+	int i_idx;
+	int rank;
+	Coordinate pcoor;
+	Coordinate lcoor;
+	Coordinate gcoor;
+	_grid->LocalIndexToLocalCoor(lidx,lcoor);
+	pcoor=_grid->ThisProcessorCoor();
+	_grid->ProcessorCoorLocalCoorToGlobalCoor(pcoor,lcoor,gcoor);
+	_grid->GlobalCoorToGlobalIndex(gcoor,gidx);
+
+	_grid->GlobalCoorToRankIndex(rank,o_idx,i_idx,gcoor);
+
+	assert(rank == _grid->ThisRank() );
+	
+	int l_idx=generator_idx(o_idx,i_idx);
+	_generators[l_idx] = master_engine;
+	Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
+    });
+#else
     // Everybody loops over global volume.
     thread_for( gidx, _grid->_gsites, {
+
 	// Where is it?
 	int rank;
 	int o_idx;
@@ -443,6 +467,7 @@ public:
 	  Skip(_generators[l_idx],gidx); // Skip to next RNG sequence
 	}
     });
+#endif
 #else 
     ////////////////////////////////////////////////////////////////
     // Machine and thread decomposition dependent seeding is efficient

Grid/lattice/Lattice_transfer.h

@@ -194,11 +194,11 @@ accelerator_inline void convertType(vComplexD2 & out, const ComplexD & in) {
 #endif
 
 accelerator_inline void convertType(vComplexF & out, const vComplexD2 & in) {
-  out.v = Optimization::PrecisionChange::DtoS(in._internal[0].v,in._internal[1].v);
+  precisionChange(out,in);
 }
 
 accelerator_inline void convertType(vComplexD2 & out, const vComplexF & in) {
-  Optimization::PrecisionChange::StoD(in.v,out._internal[0].v,out._internal[1].v);
+  precisionChange(out,in);
 }
 
 template<typename T1,typename T2>
@@ -726,10 +726,10 @@ void localCopyRegion(const Lattice<vobj> &From,Lattice<vobj> & To,Coordinate Fro
       Integer idx_t = 0; for(int d=0;d<nd;d++) idx_t+=ist[d]*(Tcoor[d]/rdt[d]);
       Integer odx_f = 0; for(int d=0;d<nd;d++) odx_f+=osf[d]*(Fcoor[d]%rdf[d]);
       Integer odx_t = 0; for(int d=0;d<nd;d++) odx_t+=ost[d]*(Tcoor[d]%rdt[d]);
-      scalar_type * fp = (scalar_type *)&f_v[odx_f];
+      vector_type * fp = (vector_type *)&f_v[odx_f];
-      scalar_type * tp = (scalar_type *)&t_v[odx_t];
+      vector_type * tp = (vector_type *)&t_v[odx_t];
       for(int w=0;w<words;w++){
-	tp[idx_t+w*Nsimd] = fp[idx_f+w*Nsimd];  // FIXME IF RRII layout, type pun no worke
+	tp[w].putlane(fp[w].getlane(idx_f),idx_t);
       }
     }
   });
@@ -904,7 +904,7 @@ 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;
 
@@ -1129,9 +1129,27 @@ vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   });
 }
 
-//Convert a Lattice from one precision to another
+//Very fast precision change. Requires in/out objects to reside on same Grid (e.g. by using double2 for the double-precision field)
 template<class VobjOut, class VobjIn>
-void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+void precisionChangeFast(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+{
+  typedef typename VobjOut::vector_type Vout;
+  typedef typename VobjIn::vector_type Vin;
+  const int N = sizeof(VobjOut)/sizeof(Vout);
+  conformable(out.Grid(),in.Grid());
+  out.Checkerboard() = in.Checkerboard();
+  int nsimd = out.Grid()->Nsimd();
+  autoView( out_v  , out, AcceleratorWrite);
+  autoView(  in_v ,   in, AcceleratorRead);
+  accelerator_for(idx,out.Grid()->oSites(),1,{
+      Vout *vout = (Vout *)&out_v[idx];
+      Vin  *vin  = (Vin  *)&in_v[idx];
+      precisionChange(vout,vin,N);
+  });
+}
+//Convert a Lattice from one precision to another (original, slow implementation)
+template<class VobjOut, class VobjIn>
+void precisionChangeOrig(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
 {
   assert(out.Grid()->Nd() == in.Grid()->Nd());
   for(int d=0;d<out.Grid()->Nd();d++){
@@ -1146,7 +1164,7 @@ void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
 
   int ndim = out.Grid()->Nd();
   int out_nsimd = out_grid->Nsimd();
-    
+  int in_nsimd = in_grid->Nsimd();
   std::vector<Coordinate > out_icoor(out_nsimd);
       
   for(int lane=0; lane < out_nsimd; lane++){
@@ -1177,6 +1195,128 @@ void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
   });
 }
 
+//The workspace for a precision change operation allowing for the reuse of the mapping to save time on subsequent calls
+class precisionChangeWorkspace{
+  std::pair<Integer,Integer>* fmap_device; //device pointer
+  //maintain grids for checking
+  GridBase* _out_grid;
+  GridBase* _in_grid;
+public:
+  precisionChangeWorkspace(GridBase *out_grid, GridBase *in_grid): _out_grid(out_grid), _in_grid(in_grid){
+    //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->Nd() == in_grid->Nd());
+    for(int d=0;d<out_grid->Nd();d++){
+      assert(out_grid->FullDimensions()[d] == in_grid->FullDimensions()[d]);
+    }
+    int Nsimd_out = out_grid->Nsimd();
+
+    std::vector<Coordinate> out_icorrs(out_grid->Nsimd()); //reuse these
+    for(int lane=0; lane < out_grid->Nsimd(); lane++)
+      out_grid->iCoorFromIindex(out_icorrs[lane], lane);
+  
+    std::vector<std::pair<Integer,Integer> > fmap_host(out_grid->lSites()); //lsites = osites*Nsimd
+    thread_for(out_oidx,out_grid->oSites(),{
+	Coordinate out_ocorr; 
+	out_grid->oCoorFromOindex(out_ocorr, out_oidx);
+      
+	Coordinate lcorr; //the local coordinate (common to both in and out as full coordinate)
+	for(int out_lane=0; out_lane < Nsimd_out; out_lane++){
+	  out_grid->InOutCoorToLocalCoor(out_ocorr, out_icorrs[out_lane], lcorr);
+	
+	  //int in_oidx = in_grid->oIndex(lcorr), in_lane = in_grid->iIndex(lcorr);
+	  //Note oIndex and OcorrFromOindex (and same for iIndex) are not inverse for checkerboarded lattice, the former coordinates being defined on the full lattice and the latter on the reduced lattice
+	  //Until this is fixed we need to circumvent the problem locally. Here I will use the coordinates defined on the reduced lattice for simplicity
+	  int in_oidx = 0, in_lane = 0;
+	  for(int d=0;d<in_grid->_ndimension;d++){
+	    in_oidx += in_grid->_ostride[d] * ( lcorr[d] % in_grid->_rdimensions[d] );
+	    in_lane += in_grid->_istride[d] * ( lcorr[d] / in_grid->_rdimensions[d] );
+	  }
+	  fmap_host[out_lane + Nsimd_out*out_oidx] = std::pair<Integer,Integer>( in_oidx, in_lane );
+	}
+      });
+
+    //Copy the map to the device (if we had a way to tell if an accelerator is in use we could avoid this copy for CPU-only machines)
+    size_t fmap_bytes = out_grid->lSites() * sizeof(std::pair<Integer,Integer>);
+    fmap_device = (std::pair<Integer,Integer>*)acceleratorAllocDevice(fmap_bytes);
+    acceleratorCopyToDevice(fmap_host.data(), fmap_device, fmap_bytes); 
+  }
+
+  //Prevent moving or copying
+  precisionChangeWorkspace(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace(precisionChangeWorkspace &&r) = delete;
+  precisionChangeWorkspace &operator=(const precisionChangeWorkspace &r) = delete;
+  precisionChangeWorkspace &operator=(precisionChangeWorkspace &&r) = delete;
+  
+  std::pair<Integer,Integer> const* getMap() const{ return fmap_device; }
+
+  void checkGrids(GridBase* out, GridBase* in) const{
+    conformable(out, _out_grid);
+    conformable(in, _in_grid);
+  }
+  
+  ~precisionChangeWorkspace(){
+    acceleratorFreeDevice(fmap_device);
+  }
+};
+
+
+//We would like to use precisionChangeFast when possible. However usage of this requires the Grids to be the same (runtime check)
+//*and* the precisionChange(VobjOut::vector_type, VobjIn, int) function to be defined for the types; this requires an extra compile-time check which we do using some SFINAE trickery
+template<class VobjOut, class VobjIn>
+auto _precisionChangeFastWrap(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, int dummy)->decltype( precisionChange( ((typename VobjOut::vector_type*)0), ((typename VobjIn::vector_type*)0), 1), int()){
+  if(out.Grid() == in.Grid()){
+    precisionChangeFast(out,in);
+    return 1;
+  }else{
+    return 0;
+  }
+}
+template<class VobjOut, class VobjIn>
+int _precisionChangeFastWrap(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, long dummy){ //note long here is intentional; it means the above is preferred if available
+  return 0;
+}
+
+
+//Convert a lattice of one precision to another. Much faster than original implementation but requires a pregenerated workspace
+//which contains the mapping data.
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in, const precisionChangeWorkspace &workspace){
+  if(_precisionChangeFastWrap(out,in,0)) return;
+  
+  static_assert( std::is_same<typename VobjOut::scalar_typeD, typename VobjIn::scalar_typeD>::value == 1, "precisionChange: 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();
+
+  workspace.checkGrids(out.Grid(),in.Grid());
+  std::pair<Integer,Integer> const* fmap_device = workspace.getMap();
+
+  //Do the copy/precision change
+  autoView( out_v , out, AcceleratorWrite);
+  autoView( in_v , in, AcceleratorRead);
+
+  accelerator_for(out_oidx, out.Grid()->oSites(), 1,{
+      std::pair<Integer,Integer> const* fmap_osite = fmap_device + out_oidx*Nsimd_out;
+      for(int out_lane=0; out_lane < Nsimd_out; out_lane++){      
+	int in_oidx = fmap_osite[out_lane].first;
+	int in_lane = fmap_osite[out_lane].second;
+	copyLane(out_v[out_oidx], out_lane, in_v[in_oidx], in_lane);
+      }
+    });
+}
+
+//Convert a Lattice from one precision to another. Much faster than original implementation but slower than precisionChangeFast
+//or precisionChange called with pregenerated workspace, as it needs to internally generate the workspace on the host and copy to device
+template<class VobjOut, class VobjIn>
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
+  if(_precisionChangeFastWrap(out,in,0)) return;   
+  precisionChangeWorkspace workspace(out.Grid(), in.Grid());
+  precisionChange(out, in, workspace);
+}
+
+
+
+
 ////////////////////////////////////////////////////////////////////////////////
 // Communicate between grids
 ////////////////////////////////////////////////////////////////////////////////

Grid/parallelIO/NerscIO.h

@@ -42,9 +42,11 @@ 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);
   }
@@ -203,7 +205,7 @@ 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 
@@ -110,8 +113,10 @@ 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;
@@ -121,6 +126,7 @@ typedef iSpinMatrix<ComplexD >          SpinMatrixD;
 typedef iSpinMatrix<vComplex >          vSpinMatrix;
 typedef iSpinMatrix<vComplexF>          vSpinMatrixF;
 typedef iSpinMatrix<vComplexD>          vSpinMatrixD;
+typedef iSpinMatrix<vComplexD2>         vSpinMatrixD2;
 
 // Colour Matrix
 typedef iColourMatrix<Complex  >        ColourMatrix;
@@ -130,6 +136,7 @@ typedef iColourMatrix<ComplexD >        ColourMatrixD;
 typedef iColourMatrix<vComplex >        vColourMatrix;
 typedef iColourMatrix<vComplexF>        vColourMatrixF;
 typedef iColourMatrix<vComplexD>        vColourMatrixD;
+typedef iColourMatrix<vComplexD2>       vColourMatrixD2;
 
 // SpinColour matrix
 typedef iSpinColourMatrix<Complex  >    SpinColourMatrix;
@@ -139,6 +146,7 @@ typedef iSpinColourMatrix<ComplexD >    SpinColourMatrixD;
 typedef iSpinColourMatrix<vComplex >    vSpinColourMatrix;
 typedef iSpinColourMatrix<vComplexF>    vSpinColourMatrixF;
 typedef iSpinColourMatrix<vComplexD>    vSpinColourMatrixD;
+typedef iSpinColourMatrix<vComplexD2>   vSpinColourMatrixD2;
 
 // SpinColourSpinColour matrix
 typedef iSpinColourSpinColourMatrix<Complex  >    SpinColourSpinColourMatrix;
@@ -148,6 +156,7 @@ typedef iSpinColourSpinColourMatrix<ComplexD >    SpinColourSpinColourMatrixD;
 typedef iSpinColourSpinColourMatrix<vComplex >    vSpinColourSpinColourMatrix;
 typedef iSpinColourSpinColourMatrix<vComplexF>    vSpinColourSpinColourMatrixF;
 typedef iSpinColourSpinColourMatrix<vComplexD>    vSpinColourSpinColourMatrixD;
+typedef iSpinColourSpinColourMatrix<vComplexD2>   vSpinColourSpinColourMatrixD2;
 
 // SpinColourSpinColour matrix
 typedef iSpinColourSpinColourMatrix<Complex  >    SpinColourSpinColourMatrix;
@@ -157,6 +166,7 @@ typedef iSpinColourSpinColourMatrix<ComplexD >    SpinColourSpinColourMatrixD;
 typedef iSpinColourSpinColourMatrix<vComplex >    vSpinColourSpinColourMatrix;
 typedef iSpinColourSpinColourMatrix<vComplexF>    vSpinColourSpinColourMatrixF;
 typedef iSpinColourSpinColourMatrix<vComplexD>    vSpinColourSpinColourMatrixD;
+typedef iSpinColourSpinColourMatrix<vComplexD2>   vSpinColourSpinColourMatrixD2;
 
 // LorentzColour
 typedef iLorentzColourMatrix<Complex  > LorentzColourMatrix;
@@ -166,6 +176,7 @@ typedef iLorentzColourMatrix<ComplexD > LorentzColourMatrixD;
 typedef iLorentzColourMatrix<vComplex >  vLorentzColourMatrix;
 typedef iLorentzColourMatrix<vComplexF>  vLorentzColourMatrixF;
 typedef iLorentzColourMatrix<vComplexD>  vLorentzColourMatrixD;
+typedef iLorentzColourMatrix<vComplexD2> vLorentzColourMatrixD2;
 
 // DoubleStored gauge field
 typedef iDoubleStoredColourMatrix<Complex  > DoubleStoredColourMatrix;
@@ -175,6 +186,18 @@ typedef iDoubleStoredColourMatrix<ComplexD > DoubleStoredColourMatrixD;
 typedef iDoubleStoredColourMatrix<vComplex >  vDoubleStoredColourMatrix;
 typedef iDoubleStoredColourMatrix<vComplexF>  vDoubleStoredColourMatrixF;
 typedef iDoubleStoredColourMatrix<vComplexD>  vDoubleStoredColourMatrixD;
+typedef iDoubleStoredColourMatrix<vComplexD2> vDoubleStoredColourMatrixD2;
+
+//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;
+typedef iGparityFlavourMatrix<vComplexD2> vGparityFlavourMatrixD2;
+
 
 // Spin vector
 typedef iSpinVector<Complex >           SpinVector;
@@ -184,6 +207,7 @@ typedef iSpinVector<ComplexD>           SpinVectorD;
 typedef iSpinVector<vComplex >           vSpinVector;
 typedef iSpinVector<vComplexF>           vSpinVectorF;
 typedef iSpinVector<vComplexD>           vSpinVectorD;
+typedef iSpinVector<vComplexD2>          vSpinVectorD2;
 
 // Colour vector
 typedef iColourVector<Complex >         ColourVector;
@@ -193,6 +217,7 @@ typedef iColourVector<ComplexD>         ColourVectorD;
 typedef iColourVector<vComplex >         vColourVector;
 typedef iColourVector<vComplexF>         vColourVectorF;
 typedef iColourVector<vComplexD>         vColourVectorD;
+typedef iColourVector<vComplexD2>        vColourVectorD2;
 
 // SpinColourVector
 typedef iSpinColourVector<Complex >     SpinColourVector;
@@ -202,6 +227,7 @@ typedef iSpinColourVector<ComplexD>     SpinColourVectorD;
 typedef iSpinColourVector<vComplex >     vSpinColourVector;
 typedef iSpinColourVector<vComplexF>     vSpinColourVectorF;
 typedef iSpinColourVector<vComplexD>     vSpinColourVectorD;
+typedef iSpinColourVector<vComplexD2>    vSpinColourVectorD2;
 
 // HalfSpin vector
 typedef iHalfSpinVector<Complex >       HalfSpinVector;
@@ -211,6 +237,7 @@ typedef iHalfSpinVector<ComplexD>       HalfSpinVectorD;
 typedef iHalfSpinVector<vComplex >       vHalfSpinVector;
 typedef iHalfSpinVector<vComplexF>       vHalfSpinVectorF;
 typedef iHalfSpinVector<vComplexD>       vHalfSpinVectorD;
+typedef iHalfSpinVector<vComplexD2>      vHalfSpinVectorD2;
 
 // HalfSpinColour vector
 typedef iHalfSpinColourVector<Complex > HalfSpinColourVector;
@@ -220,6 +247,17 @@ typedef iHalfSpinColourVector<ComplexD> HalfSpinColourVectorD;
 typedef iHalfSpinColourVector<vComplex >  vHalfSpinColourVector;
 typedef iHalfSpinColourVector<vComplexF>  vHalfSpinColourVectorF;
 typedef iHalfSpinColourVector<vComplexD>  vHalfSpinColourVectorD;
+typedef iHalfSpinColourVector<vComplexD2> vHalfSpinColourVectorD2;
+
+//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;
+typedef iGparityFlavourVector<vComplexD2>        vGparityFlavourVectorD2;
     
 // singlets
 typedef iSinglet<Complex >         TComplex;     // FIXME This is painful. Tensor singlet complex type.
@@ -229,6 +267,7 @@ typedef iSinglet<ComplexD>         TComplexD;    // FIXME This is painful. Tenso
 typedef iSinglet<vComplex >        vTComplex ;   // what if we don't know the tensor structure
 typedef iSinglet<vComplexF>        vTComplexF;   // what if we don't know the tensor structure
 typedef iSinglet<vComplexD>        vTComplexD;   // what if we don't know the tensor structure
+typedef iSinglet<vComplexD2>       vTComplexD2;   // what if we don't know the tensor structure
 
 typedef iSinglet<Real >            TReal;        // Shouldn't need these; can I make it work without?
 typedef iSinglet<RealF>            TRealF;       // Shouldn't need these; can I make it work without?
@@ -246,47 +285,58 @@ typedef iSinglet<Integer >         TInteger;
 typedef Lattice<vColourMatrix>          LatticeColourMatrix;
 typedef Lattice<vColourMatrixF>         LatticeColourMatrixF;
 typedef Lattice<vColourMatrixD>         LatticeColourMatrixD;
+typedef Lattice<vColourMatrixD2>        LatticeColourMatrixD2;
 
 typedef Lattice<vSpinMatrix>            LatticeSpinMatrix;
 typedef Lattice<vSpinMatrixF>           LatticeSpinMatrixF;
 typedef Lattice<vSpinMatrixD>           LatticeSpinMatrixD;
+typedef Lattice<vSpinMatrixD2>          LatticeSpinMatrixD2;
 
 typedef Lattice<vSpinColourMatrix>      LatticeSpinColourMatrix;
 typedef Lattice<vSpinColourMatrixF>     LatticeSpinColourMatrixF;
 typedef Lattice<vSpinColourMatrixD>     LatticeSpinColourMatrixD;
+typedef Lattice<vSpinColourMatrixD2>    LatticeSpinColourMatrixD2;
 
 typedef Lattice<vSpinColourSpinColourMatrix>      LatticeSpinColourSpinColourMatrix;
 typedef Lattice<vSpinColourSpinColourMatrixF>     LatticeSpinColourSpinColourMatrixF;
 typedef Lattice<vSpinColourSpinColourMatrixD>     LatticeSpinColourSpinColourMatrixD;
+typedef Lattice<vSpinColourSpinColourMatrixD2>    LatticeSpinColourSpinColourMatrixD2;
 
 typedef Lattice<vLorentzColourMatrix>   LatticeLorentzColourMatrix;
 typedef Lattice<vLorentzColourMatrixF>  LatticeLorentzColourMatrixF;
 typedef Lattice<vLorentzColourMatrixD>  LatticeLorentzColourMatrixD;
+typedef Lattice<vLorentzColourMatrixD2> LatticeLorentzColourMatrixD2;
 
 // DoubleStored gauge field
 typedef Lattice<vDoubleStoredColourMatrix>   LatticeDoubleStoredColourMatrix;
 typedef Lattice<vDoubleStoredColourMatrixF>  LatticeDoubleStoredColourMatrixF;
 typedef Lattice<vDoubleStoredColourMatrixD>  LatticeDoubleStoredColourMatrixD;
+typedef Lattice<vDoubleStoredColourMatrixD2> LatticeDoubleStoredColourMatrixD2;
 
 typedef Lattice<vSpinVector>            LatticeSpinVector;
 typedef Lattice<vSpinVectorF>           LatticeSpinVectorF;
 typedef Lattice<vSpinVectorD>           LatticeSpinVectorD;
+typedef Lattice<vSpinVectorD2>          LatticeSpinVectorD2;
 
 typedef Lattice<vColourVector>          LatticeColourVector;
 typedef Lattice<vColourVectorF>         LatticeColourVectorF;
 typedef Lattice<vColourVectorD>         LatticeColourVectorD;
+typedef Lattice<vColourVectorD2>        LatticeColourVectorD2;
 
 typedef Lattice<vSpinColourVector>      LatticeSpinColourVector;
 typedef Lattice<vSpinColourVectorF>     LatticeSpinColourVectorF;
 typedef Lattice<vSpinColourVectorD>     LatticeSpinColourVectorD;
+typedef Lattice<vSpinColourVectorD2>    LatticeSpinColourVectorD2;
 
 typedef Lattice<vHalfSpinVector>        LatticeHalfSpinVector;
 typedef Lattice<vHalfSpinVectorF>       LatticeHalfSpinVectorF;
 typedef Lattice<vHalfSpinVectorD>       LatticeHalfSpinVectorD;
+typedef Lattice<vHalfSpinVectorD2>      LatticeHalfSpinVectorD2;
 
 typedef Lattice<vHalfSpinColourVector>   LatticeHalfSpinColourVector;
 typedef Lattice<vHalfSpinColourVectorF>  LatticeHalfSpinColourVectorF;
 typedef Lattice<vHalfSpinColourVectorD>  LatticeHalfSpinColourVectorD;
+typedef Lattice<vHalfSpinColourVectorD2> LatticeHalfSpinColourVectorD2;
 
 typedef Lattice<vTReal>            LatticeReal;
 typedef Lattice<vTRealF>           LatticeRealF;
@@ -295,6 +345,7 @@ typedef Lattice<vTRealD>           LatticeRealD;
 typedef Lattice<vTComplex>         LatticeComplex;
 typedef Lattice<vTComplexF>        LatticeComplexF;
 typedef Lattice<vTComplexD>        LatticeComplexD;
+typedef Lattice<vTComplexD2>       LatticeComplexD2;
 
 typedef Lattice<vTInteger>         LatticeInteger; // Predicates for "where"
 
@@ -304,35 +355,40 @@ typedef Lattice<vTInteger>         LatticeInteger; // Predicates for "where"
 ///////////////////////////////////////////
 typedef LatticeHalfSpinColourVector   LatticeHalfFermion;
 typedef LatticeHalfSpinColourVectorF  LatticeHalfFermionF;
-typedef LatticeHalfSpinColourVectorF LatticeHalfFermionD;
+typedef LatticeHalfSpinColourVectorD  LatticeHalfFermionD;
+typedef LatticeHalfSpinColourVectorD2 LatticeHalfFermionD2;
 
 typedef LatticeSpinColourVector      LatticeFermion;
 typedef LatticeSpinColourVectorF     LatticeFermionF;
 typedef LatticeSpinColourVectorD     LatticeFermionD;
+typedef LatticeSpinColourVectorD2    LatticeFermionD2;
 
 typedef LatticeSpinColourMatrix                LatticePropagator;
 typedef LatticeSpinColourMatrixF               LatticePropagatorF;
 typedef LatticeSpinColourMatrixD               LatticePropagatorD;
+typedef LatticeSpinColourMatrixD2              LatticePropagatorD2;
 
 typedef LatticeLorentzColourMatrix             LatticeGaugeField;
 typedef LatticeLorentzColourMatrixF            LatticeGaugeFieldF;
 typedef LatticeLorentzColourMatrixD            LatticeGaugeFieldD;
+typedef LatticeLorentzColourMatrixD2           LatticeGaugeFieldD2;
 
 typedef LatticeDoubleStoredColourMatrix        LatticeDoubledGaugeField;
 typedef LatticeDoubleStoredColourMatrixF       LatticeDoubledGaugeFieldF;
 typedef LatticeDoubleStoredColourMatrixD       LatticeDoubledGaugeFieldD;
+typedef LatticeDoubleStoredColourMatrixD2      LatticeDoubledGaugeFieldD2;
 
 template<class GF> using LorentzScalar = Lattice<iScalar<typename GF::vector_object::element> >;
 
-// Uhgg... typing this hurt  ;)
-// (my keyboard got burning hot when I typed this, must be the anti-Fermion)
 typedef Lattice<vColourVector>          LatticeStaggeredFermion;    
 typedef Lattice<vColourVectorF>         LatticeStaggeredFermionF;    
 typedef Lattice<vColourVectorD>         LatticeStaggeredFermionD;    
+typedef Lattice<vColourVectorD2>        LatticeStaggeredFermionD2;    
 
 typedef Lattice<vColourMatrix>          LatticeStaggeredPropagator; 
 typedef Lattice<vColourMatrixF>         LatticeStaggeredPropagatorF; 
 typedef Lattice<vColourMatrixD>         LatticeStaggeredPropagatorD; 
+typedef Lattice<vColourMatrixD2>        LatticeStaggeredPropagatorD2; 
 
 //////////////////////////////////////////////////////////////////////////////
 // Peek and Poke named after physics attributes

Grid/qcd/action/ActionBase.h

@@ -40,9 +40,47 @@ class Action
 
 public:
   bool is_smeared = false;
+  RealD deriv_norm_sum;
+  RealD deriv_max_sum;
+  RealD Fdt_norm_sum;
+  RealD Fdt_max_sum;
+  int   deriv_num;
+  RealD deriv_us;
+  RealD S_us;
+  RealD refresh_us;
+  void  reset_timer(void)        {
+    deriv_us = S_us = refresh_us = 0.0;
+    deriv_norm_sum = deriv_max_sum=0.0;
+    Fdt_max_sum =  Fdt_norm_sum = 0.0;
+    deriv_num=0;
+  }
+  void  deriv_log(RealD nrm, RealD max,RealD Fdt_nrm,RealD Fdt_max) {
+    if ( max > deriv_max_sum ) {
+      deriv_max_sum=max;
+    }
+    deriv_norm_sum+=nrm;
+    if ( Fdt_max > Fdt_max_sum ) {
+      Fdt_max_sum=Fdt_max;
+    }
+    Fdt_norm_sum+=Fdt_nrm; deriv_num++;
+  }
+  RealD deriv_max_average(void)       { return deriv_max_sum; };
+  RealD deriv_norm_average(void)      { return deriv_norm_sum/deriv_num; };
+  RealD Fdt_max_average(void)         { return Fdt_max_sum; };
+  RealD Fdt_norm_average(void)        { return Fdt_norm_sum/deriv_num; };
+  RealD deriv_timer(void)        { return deriv_us; };
+  RealD S_timer(void)            { return S_us; };
+  RealD refresh_timer(void)      { return refresh_us; };
+  void deriv_timer_start(void)   { deriv_us-=usecond(); }
+  void deriv_timer_stop(void)    { deriv_us+=usecond(); }
+  void refresh_timer_start(void) { refresh_us-=usecond(); }
+  void refresh_timer_stop(void)  { refresh_us+=usecond(); }
+  void S_timer_start(void)       { S_us-=usecond(); }
+  void S_timer_stop(void)        { S_us+=usecond(); }
   // Heatbath?
   virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions
   virtual RealD S(const GaugeField& U) = 0;                             // evaluate the action
+  virtual RealD Sinitial(const GaugeField& U) { return this->S(U); } ;  // if the refresh computes the action, can cache it. Alternately refreshAndAction() ?
   virtual void deriv(const GaugeField& U, GaugeField& dSdU) = 0;        // evaluate the action derivative
   virtual std::string action_name()    = 0;                             // return the action name
   virtual std::string LogParameters()  = 0;                             // prints action parameters

Grid/qcd/action/ActionCore.h

@@ -37,6 +37,10 @@ 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
 ////////////////////////////////////////////

Grid/qcd/action/ActionParams.h

@@ -34,27 +34,45 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
-// These can move into a params header and be given MacroMagic serialisation
+
 struct GparityWilsonImplParams {
   Coordinate twists;
-  GparityWilsonImplParams() : twists(Nd, 0) {};
+                     //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
+  int  partialDirichlet;
+  GparityWilsonImplParams() : twists(Nd, 0) {
+    dirichlet.resize(0);
+    partialDirichlet=0;
+  };
 };
   
 struct WilsonImplParams {
   bool overlapCommsCompute;
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
+  int  partialDirichlet;
   AcceleratorVector<Real,Nd> twist_n_2pi_L;
   AcceleratorVector<Complex,Nd> boundary_phases;
   WilsonImplParams()  {
+    dirichlet.resize(0);
+    partialDirichlet=0;
     boundary_phases.resize(Nd, 1.0);
       twist_n_2pi_L.resize(Nd, 0.0);
   };
   WilsonImplParams(const AcceleratorVector<Complex,Nd> phi) : boundary_phases(phi), overlapCommsCompute(false) {
     twist_n_2pi_L.resize(Nd, 0.0);
+    partialDirichlet=0;
+    dirichlet.resize(0);
   }
 };
 
 struct StaggeredImplParams {
-  StaggeredImplParams()  {};
+  Coordinate dirichlet; // Blocksize of dirichlet BCs
+  int  partialDirichlet;
+  StaggeredImplParams()
+  {
+    partialDirichlet=0;
+    dirichlet.resize(0);
+  };
 };
   
   struct OneFlavourRationalParams : Serializable {
@@ -63,9 +81,11 @@ struct StaggeredImplParams {
 				    RealD, hi, 
 				    int,   MaxIter, 
 				    RealD, tolerance, 
+				    RealD, mdtolerance, 
 				    int,   degree, 
 				    int,   precision,
-				    int,   BoundsCheckFreq);
+				    int,   BoundsCheckFreq,
+				    RealD, BoundsCheckTol);
     
   // MaxIter and tolerance, vectors??
     
@@ -76,16 +96,62 @@ struct StaggeredImplParams {
 				RealD tol      = 1.0e-8, 
                            	int _degree    = 10,
 				int _precision = 64,
-				int _BoundsCheckFreq=20)
+				int _BoundsCheckFreq=20,
+				RealD mdtol    = 1.0e-6,
+				double _BoundsCheckTol=1e-6)
       : lo(_lo),
 	hi(_hi),
 	MaxIter(_maxit),
 	tolerance(tol),
+        mdtolerance(mdtol),
 	degree(_degree),
         precision(_precision),
+        BoundsCheckFreq(_BoundsCheckFreq),
+        BoundsCheckTol(_BoundsCheckTol){};
+  };
+  
+  /*Action parameters for the generalized rational action
+    The approximation is for (M^dag M)^{1/inv_pow}
+    where inv_pow is the denominator of the fractional power.
+    Default inv_pow=2 for square root, making this equivalent to 
+    the OneFlavourRational action
+  */
+    struct RationalActionParams : Serializable {
+    GRID_SERIALIZABLE_CLASS_MEMBERS(RationalActionParams, 
+				    int, inv_pow, 
+				    RealD, lo, //low eigenvalue bound of rational approx
+				    RealD, hi, //high eigenvalue bound of rational approx
+				    int,   MaxIter,  //maximum iterations in msCG
+				    RealD, action_tolerance,  //msCG tolerance in action evaluation
+				    int,   action_degree, //rational approx tolerance in action evaluation
+				    RealD, md_tolerance,  //msCG tolerance in MD integration
+				    int,   md_degree, //rational approx tolerance in MD integration
+				    int,   precision, //precision of floating point arithmetic
+				    int,   BoundsCheckFreq); //frequency the approximation is tested (with Metropolis degree/tolerance); 0 disables the check
+  // constructor 
+  RationalActionParams(int _inv_pow = 2,
+		       RealD _lo      = 0.0, 
+		       RealD _hi      = 1.0, 
+		       int _maxit     = 1000,
+		       RealD _action_tolerance      = 1.0e-8, 
+		       int _action_degree    = 10,
+		       RealD _md_tolerance      = 1.0e-8, 
+		       int _md_degree    = 10,
+		       int _precision = 64,
+		       int _BoundsCheckFreq=20)
+    : inv_pow(_inv_pow), 
+      lo(_lo),
+      hi(_hi),
+      MaxIter(_maxit),
+      action_tolerance(_action_tolerance),
+      action_degree(_action_degree),
+      md_tolerance(_md_tolerance),
+      md_degree(_md_degree),
+      precision(_precision),
       BoundsCheckFreq(_BoundsCheckFreq){};
   };
 
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/fermion/CayleyFermion5D.h

@@ -71,6 +71,7 @@ public:
   RealD Mass(void) { return (mass_plus + mass_minus) / 2.0; };
   RealD MassPlus(void) { return mass_plus; };
   RealD MassMinus(void) { return mass_minus; };
+
   void  SetMass(RealD _mass) { 
     mass_plus=mass_minus=_mass; 
     SetCoefficientsInternal(_zolo_hi,_gamma,_b,_c);  // Reset coeffs
@@ -182,16 +183,6 @@ public:
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  RealD _mass,RealD _M5,const ImplParams &p= ImplParams());
 
-  void CayleyReport(void);
-  void CayleyZeroCounters(void);
-
-  double M5Dflops;
-  double M5Dcalls;
-  double M5Dtime;
-
-  double MooeeInvFlops;
-  double MooeeInvCalls;
-  double MooeeInvTime;
 
 protected:
   virtual void SetCoefficientsZolotarev(RealD zolohi,Approx::zolotarev_data *zdata,RealD b,RealD c);

Grid/qcd/action/fermion/CloverHelpers.h

@@ -140,6 +140,7 @@ public:
     return NMAX;
   }
 
+  static int getNMAX(Lattice<iImplClover<vComplexD2>> &t, RealD R) {return getNMAX(1e-12,R);}
   static int getNMAX(Lattice<iImplClover<vComplexD>> &t, RealD R) {return getNMAX(1e-12,R);}
   static int getNMAX(Lattice<iImplClover<vComplexF>> &t, RealD R) {return getNMAX(1e-6,R);}
 

Grid/qcd/action/fermion/DWFSlow.h

@@ -0,0 +1,291 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/action/fermion/DWFSlow.h
+
+Copyright (C) 2022
+
+Author: Peter Boyle <pboyle@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 */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template <class Impl>
+class DWFSlowFermion : public FermionOperator<Impl>
+{
+public:
+  INHERIT_IMPL_TYPES(Impl);
+
+  ///////////////////////////////////////////////////////////////
+  // Implement the abstract base
+  ///////////////////////////////////////////////////////////////
+  GridBase *GaugeGrid(void) { return _grid4; }
+  GridBase *GaugeRedBlackGrid(void) { return _cbgrid4; }
+  GridBase *FermionGrid(void) { return _grid; }
+  GridBase *FermionRedBlackGrid(void) { return _cbgrid; }
+
+  FermionField _tmp;
+  FermionField &tmp(void) { return _tmp; }
+
+  //////////////////////////////////////////////////////////////////
+  // override multiply; cut number routines if pass dagger argument
+  // and also make interface more uniformly consistent
+  //////////////////////////////////////////////////////////////////
+  virtual void  M(const FermionField &in, FermionField &out)
+  {
+    FermionField tmp(_grid);
+    out = (5.0 - M5) * in;
+    Dhop(in,tmp,DaggerNo);
+    out = out + tmp;
+  }
+  virtual void  Mdag(const FermionField &in, FermionField &out)
+  {
+    FermionField tmp(_grid);
+    out = (5.0 - M5) * in;
+    Dhop(in,tmp,DaggerYes);
+    out = out + tmp;
+  };
+
+  /////////////////////////////////////////////////////////
+  // half checkerboard operations 5D redblack so just site identiy
+  /////////////////////////////////////////////////////////
+  void Meooe(const FermionField &in, FermionField &out)
+  {
+    if ( in.Checkerboard() == Odd ) {
+      this->DhopEO(in,out,DaggerNo);
+    } else {
+      this->DhopOE(in,out,DaggerNo);
+    }
+  }
+  void MeooeDag(const FermionField &in, FermionField &out)
+  {
+    if ( in.Checkerboard() == Odd ) {
+      this->DhopEO(in,out,DaggerYes);
+    } else {
+      this->DhopOE(in,out,DaggerYes);
+    }
+  };
+
+  // allow override for twisted mass and clover
+  virtual void Mooee(const FermionField &in, FermionField &out)
+  {
+    out = (5.0 - M5) * in;
+  }
+  virtual void MooeeDag(const FermionField &in, FermionField &out)
+  {
+    out = (5.0 - M5) * in;
+  }
+  virtual void MooeeInv(const FermionField &in, FermionField &out)
+  {
+    out = (1.0/(5.0 - M5)) * in;
+  };
+  virtual void MooeeInvDag(const FermionField &in, FermionField &out)
+  {
+    out = (1.0/(5.0 - M5)) * in;
+  };
+
+  virtual void  MomentumSpacePropagator(FermionField &out,const FermionField &in,RealD _mass,std::vector<double> twist) {} ;
+
+  ////////////////////////
+  // Derivative interface
+  ////////////////////////
+  // Interface calls an internal routine
+  void DhopDeriv(GaugeField &mat,const FermionField &U,const FermionField &V,int dag)  { assert(0);};
+  void DhopDerivOE(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){ assert(0);};
+  void DhopDerivEO(GaugeField &mat,const FermionField &U,const FermionField &V,int dag){ assert(0);};
+
+  ///////////////////////////////////////////////////////////////
+  // non-hermitian hopping term; half cb or both
+  ///////////////////////////////////////////////////////////////
+  void Dhop(const FermionField &in, FermionField &out, int dag)
+  {
+    FermionField tmp(in.Grid());
+    Dhop5(in,out,MassField,MassField,dag );
+    for(int mu=0;mu<4;mu++){
+      DhopDirU(in,Umu[mu],Umu[mu],tmp,mu,dag );    out = out + tmp;
+    }
+  };
+  void DhopOE(const FermionField &in, FermionField &out, int dag)
+  {
+    FermionField tmp(in.Grid());
+    assert(in.Checkerboard()==Even);
+    Dhop5(in,out,MassFieldOdd,MassFieldEven,dag);
+    for(int mu=0;mu<4;mu++){
+      DhopDirU(in,UmuOdd[mu],UmuEven[mu],tmp,mu,dag );    out = out + tmp;
+    }
+  };
+  void DhopEO(const FermionField &in, FermionField &out, int dag)
+  {
+    FermionField tmp(in.Grid());
+    assert(in.Checkerboard()==Odd);
+    Dhop5(in,out, MassFieldEven,MassFieldOdd ,dag );  
+    for(int mu=0;mu<4;mu++){
+      DhopDirU(in,UmuEven[mu],UmuOdd[mu],tmp,mu,dag );    out = out + tmp;
+    }
+  };
+
+  ///////////////////////////////////////////////////////////////
+  // Multigrid assistance; force term uses too
+  ///////////////////////////////////////////////////////////////
+  void Mdir(const FermionField &in, FermionField &out, int dir, int disp){ assert(0);};
+  void MdirAll(const FermionField &in, std::vector<FermionField> &out)   { assert(0);};
+  void DhopDir(const FermionField &in, FermionField &out, int dir, int disp) { assert(0);};
+  void DhopDirAll(const FermionField &in, std::vector<FermionField> &out)    { assert(0);};
+  void DhopDirCalc(const FermionField &in, FermionField &out, int dirdisp,int gamma, int dag) { assert(0);};
+
+  void DhopDirU(const FermionField &in, const GaugeLinkField &U5e, const GaugeLinkField &U5o, FermionField &out, int mu, int dag)
+  {
+    RealD     sgn= 1.0;
+    if (dag ) sgn=-1.0;
+
+    Gamma::Algebra Gmu [] = {
+			 Gamma::Algebra::GammaX,
+			 Gamma::Algebra::GammaY,
+			 Gamma::Algebra::GammaZ,
+			 Gamma::Algebra::GammaT
+    };
+
+    //    mass is  1,1,1,1,-m has to multiply the round the world term
+    FermionField tmp (in.Grid());
+    tmp = U5e * Cshift(in,mu+1,1);
+    out = tmp - Gamma(Gmu[mu])*tmp*sgn;
+    
+    tmp = Cshift(adj(U5o)*in,mu+1,-1);
+    out = out + tmp + Gamma(Gmu[mu])*tmp*sgn;
+
+    out = -0.5*out;
+  };
+
+  void Dhop5(const FermionField &in, FermionField &out, ComplexField &massE, ComplexField &massO, int dag)
+  {
+    // Mass term.... must multiple the round world with mass = 1,1,1,1, -m
+    RealD     sgn= 1.0;
+    if (dag ) sgn=-1.0;
+
+    Gamma G5(Gamma::Algebra::Gamma5);
+
+    FermionField tmp (in.Grid());
+    tmp = massE*Cshift(in,0,1);
+    out = tmp - G5*tmp*sgn;
+    
+    tmp = Cshift(massO*in,0,-1);
+    out = out + tmp + G5*tmp*sgn;
+    out = -0.5*out;
+  };
+
+  // Constructor
+  DWFSlowFermion(GaugeField &_Umu, GridCartesian &Fgrid,
+		 GridRedBlackCartesian &Hgrid, RealD _mass, RealD _M5)
+    :
+    _grid(&Fgrid),
+    _cbgrid(&Hgrid),
+    _grid4(_Umu.Grid()),
+    Umu(Nd,&Fgrid),
+    UmuEven(Nd,&Hgrid),
+    UmuOdd(Nd,&Hgrid),
+    MassField(&Fgrid),
+    MassFieldEven(&Hgrid),
+    MassFieldOdd(&Hgrid),
+    M5(_M5),
+    mass(_mass),
+    _tmp(&Hgrid)
+    {
+      Ls=Fgrid._fdimensions[0];
+      ImportGauge(_Umu);
+
+      typedef typename FermionField::scalar_type scalar;
+
+      Lattice<iScalar<vInteger> > coor(&Fgrid);
+      LatticeCoordinate(coor, 0); // Scoor
+      ComplexField one(&Fgrid);
+      MassField =scalar(-mass);
+      one       =scalar(1.0);
+      MassField =where(coor==Integer(Ls-1),MassField,one);
+      for(int mu=0;mu<Nd;mu++){
+	pickCheckerboard(Even,UmuEven[mu],Umu[mu]);
+	pickCheckerboard(Odd ,UmuOdd[mu],Umu[mu]);
+      }
+      pickCheckerboard(Even,MassFieldEven,MassField);
+      pickCheckerboard(Odd ,MassFieldOdd,MassField);
+      
+    }
+  
+  // DoubleStore impl dependent
+  void ImportGauge(const GaugeField &_Umu4)
+  {
+    GaugeLinkField U4(_grid4);
+    for(int mu=0;mu<Nd;mu++){
+      U4 = PeekIndex<LorentzIndex>(_Umu4, mu);
+      for(int s=0;s<this->Ls;s++){
+	InsertSlice(U4,Umu[mu],s,0);
+      }
+    }
+  }
+
+  ///////////////////////////////////////////////////////////////
+  // Data members require to support the functionality
+  ///////////////////////////////////////////////////////////////
+
+public:
+  virtual RealD Mass(void) { return mass; }
+  virtual int   isTrivialEE(void) { return 1; };
+  RealD mass;
+  RealD M5;
+  int Ls;
+
+  GridBase *_grid4;
+  GridBase *_grid;
+  GridBase *_cbgrid4;
+  GridBase *_cbgrid;
+
+  // Copy of the gauge field , with even and odd subsets
+  std::vector<GaugeLinkField> Umu;
+  std::vector<GaugeLinkField> UmuEven;
+  std::vector<GaugeLinkField> UmuOdd;
+  ComplexField MassField;
+  ComplexField MassFieldEven;
+  ComplexField MassFieldOdd;
+
+  ///////////////////////////////////////////////////////////////
+  // Conserved current utilities
+  ///////////////////////////////////////////////////////////////
+  void ContractConservedCurrent(PropagatorField &q_in_1,
+                                PropagatorField &q_in_2,
+                                PropagatorField &q_out,
+                                PropagatorField &phys_src,
+                                Current curr_type,
+                                unsigned int mu){}
+  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){}
+};
+
+typedef DWFSlowFermion<WilsonImplF> DWFSlowFermionF;
+typedef DWFSlowFermion<WilsonImplD> DWFSlowFermionD;
+
+NAMESPACE_END(Grid);

Grid/qcd/action/fermion/Fermion.h

@@ -47,6 +47,7 @@ Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 ////////////////////////////////////////////
 // Fermion operators / actions
 ////////////////////////////////////////////
+#include <Grid/qcd/action/fermion/DWFSlow.h>       // Slow DWF
 
 #include <Grid/qcd/action/fermion/WilsonFermion.h>       // 4d wilson like
 NAMESPACE_CHECK(Wilson);
@@ -112,28 +113,21 @@ NAMESPACE_CHECK(DWFutils);
 // Cayley 5d
 NAMESPACE_BEGIN(Grid);
 
-typedef WilsonFermion<WilsonImplR> WilsonFermionR;
+typedef WilsonFermion<WilsonImplD2> WilsonFermionD2;
 typedef WilsonFermion<WilsonImplF> WilsonFermionF;
 typedef WilsonFermion<WilsonImplD> WilsonFermionD;
 
-//typedef WilsonFermion<WilsonImplRL> WilsonFermionRL;
-//typedef WilsonFermion<WilsonImplFH> WilsonFermionFH;
-//typedef WilsonFermion<WilsonImplDF> WilsonFermionDF;
-
-typedef WilsonFermion<WilsonAdjImplR> WilsonAdjFermionR;
 typedef WilsonFermion<WilsonAdjImplF> WilsonAdjFermionF;
 typedef WilsonFermion<WilsonAdjImplD> WilsonAdjFermionD;
 
-typedef WilsonFermion<WilsonTwoIndexSymmetricImplR> WilsonTwoIndexSymmetricFermionR;
 typedef WilsonFermion<WilsonTwoIndexSymmetricImplF> WilsonTwoIndexSymmetricFermionF;
 typedef WilsonFermion<WilsonTwoIndexSymmetricImplD> WilsonTwoIndexSymmetricFermionD;
 
-typedef WilsonFermion<WilsonTwoIndexAntiSymmetricImplR> WilsonTwoIndexAntiSymmetricFermionR;
 typedef WilsonFermion<WilsonTwoIndexAntiSymmetricImplF> WilsonTwoIndexAntiSymmetricFermionF;
 typedef WilsonFermion<WilsonTwoIndexAntiSymmetricImplD> WilsonTwoIndexAntiSymmetricFermionD;
 
 // Twisted mass fermion
-typedef WilsonTMFermion<WilsonImplR> WilsonTMFermionR;
+typedef WilsonTMFermion<WilsonImplD2> WilsonTMFermionD2;
 typedef WilsonTMFermion<WilsonImplF> WilsonTMFermionF;
 typedef WilsonTMFermion<WilsonImplD> WilsonTMFermionD;
 
@@ -141,23 +135,20 @@ typedef WilsonTMFermion<WilsonImplD> WilsonTMFermionD;
 template <typename WImpl> using WilsonClover = WilsonCloverFermion<WImpl, CloverHelpers<WImpl>>;
 template <typename WImpl> using WilsonExpClover = WilsonCloverFermion<WImpl, ExpCloverHelpers<WImpl>>;
 
-typedef WilsonClover<WilsonImplR> WilsonCloverFermionR;
+typedef WilsonClover<WilsonImplD2> WilsonCloverFermionD2;
 typedef WilsonClover<WilsonImplF> WilsonCloverFermionF;
 typedef WilsonClover<WilsonImplD> WilsonCloverFermionD;
 
-typedef WilsonExpClover<WilsonImplR> WilsonExpCloverFermionR;
+typedef WilsonExpClover<WilsonImplD2> WilsonExpCloverFermionD2;
 typedef WilsonExpClover<WilsonImplF> WilsonExpCloverFermionF;
 typedef WilsonExpClover<WilsonImplD> WilsonExpCloverFermionD;
 
-typedef WilsonClover<WilsonAdjImplR> WilsonCloverAdjFermionR;
 typedef WilsonClover<WilsonAdjImplF> WilsonCloverAdjFermionF;
 typedef WilsonClover<WilsonAdjImplD> WilsonCloverAdjFermionD;
 
-typedef WilsonClover<WilsonTwoIndexSymmetricImplR> WilsonCloverTwoIndexSymmetricFermionR;
 typedef WilsonClover<WilsonTwoIndexSymmetricImplF> WilsonCloverTwoIndexSymmetricFermionF;
 typedef WilsonClover<WilsonTwoIndexSymmetricImplD> WilsonCloverTwoIndexSymmetricFermionD;
 
-typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplR> WilsonCloverTwoIndexAntiSymmetricFermionR;
 typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplF> WilsonCloverTwoIndexAntiSymmetricFermionF;
 typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiSymmetricFermionD;
 
@@ -165,161 +156,108 @@ typedef WilsonClover<WilsonTwoIndexAntiSymmetricImplD> WilsonCloverTwoIndexAntiS
 template <typename WImpl> using CompactWilsonClover = CompactWilsonCloverFermion<WImpl, CompactCloverHelpers<WImpl>>;
 template <typename WImpl> using CompactWilsonExpClover = CompactWilsonCloverFermion<WImpl, CompactExpCloverHelpers<WImpl>>;
 
-typedef CompactWilsonClover<WilsonImplR> CompactWilsonCloverFermionR;
+typedef CompactWilsonClover<WilsonImplD2> CompactWilsonCloverFermionD2;
 typedef CompactWilsonClover<WilsonImplF> CompactWilsonCloverFermionF;
 typedef CompactWilsonClover<WilsonImplD> CompactWilsonCloverFermionD;
 
-typedef CompactWilsonExpClover<WilsonImplR> CompactWilsonExpCloverFermionR;
+typedef CompactWilsonExpClover<WilsonImplD2> CompactWilsonExpCloverFermionD2;
 typedef CompactWilsonExpClover<WilsonImplF> CompactWilsonExpCloverFermionF;
 typedef CompactWilsonExpClover<WilsonImplD> CompactWilsonExpCloverFermionD;
 
-typedef CompactWilsonClover<WilsonAdjImplR> CompactWilsonCloverAdjFermionR;
 typedef CompactWilsonClover<WilsonAdjImplF> CompactWilsonCloverAdjFermionF;
 typedef CompactWilsonClover<WilsonAdjImplD> CompactWilsonCloverAdjFermionD;
 
-typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplR> CompactWilsonCloverTwoIndexSymmetricFermionR;
 typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplF> CompactWilsonCloverTwoIndexSymmetricFermionF;
 typedef CompactWilsonClover<WilsonTwoIndexSymmetricImplD> CompactWilsonCloverTwoIndexSymmetricFermionD;
 
-typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplR> CompactWilsonCloverTwoIndexAntiSymmetricFermionR;
 typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplF> CompactWilsonCloverTwoIndexAntiSymmetricFermionF;
 typedef CompactWilsonClover<WilsonTwoIndexAntiSymmetricImplD> CompactWilsonCloverTwoIndexAntiSymmetricFermionD;
 
 // Domain Wall fermions
-typedef DomainWallFermion<WilsonImplR> DomainWallFermionR;
 typedef DomainWallFermion<WilsonImplF> DomainWallFermionF;
 typedef DomainWallFermion<WilsonImplD> DomainWallFermionD;
+typedef DomainWallFermion<WilsonImplD2> DomainWallFermionD2;
 
-//typedef DomainWallFermion<WilsonImplRL> DomainWallFermionRL;
+typedef DomainWallEOFAFermion<WilsonImplD2> DomainWallEOFAFermionD2;
-//typedef DomainWallFermion<WilsonImplFH> DomainWallFermionFH;
-//typedef DomainWallFermion<WilsonImplDF> DomainWallFermionDF;
-
-typedef DomainWallEOFAFermion<WilsonImplR> DomainWallEOFAFermionR;
 typedef DomainWallEOFAFermion<WilsonImplF> DomainWallEOFAFermionF;
 typedef DomainWallEOFAFermion<WilsonImplD> DomainWallEOFAFermionD;
 
-//typedef DomainWallEOFAFermion<WilsonImplRL> DomainWallEOFAFermionRL;
+typedef MobiusFermion<WilsonImplD2> MobiusFermionD2;
-//typedef DomainWallEOFAFermion<WilsonImplFH> DomainWallEOFAFermionFH;
-//typedef DomainWallEOFAFermion<WilsonImplDF> DomainWallEOFAFermionDF;
-
-typedef MobiusFermion<WilsonImplR> MobiusFermionR;
 typedef MobiusFermion<WilsonImplF> MobiusFermionF;
 typedef MobiusFermion<WilsonImplD> MobiusFermionD;
 
-//typedef MobiusFermion<WilsonImplRL> MobiusFermionRL;
+typedef MobiusEOFAFermion<WilsonImplD2> MobiusEOFAFermionD2;
-//typedef MobiusFermion<WilsonImplFH> MobiusFermionFH;
-//typedef MobiusFermion<WilsonImplDF> MobiusFermionDF;
-
-typedef MobiusEOFAFermion<WilsonImplR> MobiusEOFAFermionR;
 typedef MobiusEOFAFermion<WilsonImplF> MobiusEOFAFermionF;
 typedef MobiusEOFAFermion<WilsonImplD> MobiusEOFAFermionD;
 
-//typedef MobiusEOFAFermion<WilsonImplRL> MobiusEOFAFermionRL;
+typedef ZMobiusFermion<ZWilsonImplD2> ZMobiusFermionD2;
-//typedef MobiusEOFAFermion<WilsonImplFH> MobiusEOFAFermionFH;
-//typedef MobiusEOFAFermion<WilsonImplDF> MobiusEOFAFermionDF;
-
-typedef ZMobiusFermion<ZWilsonImplR> ZMobiusFermionR;
 typedef ZMobiusFermion<ZWilsonImplF> ZMobiusFermionF;
 typedef ZMobiusFermion<ZWilsonImplD> ZMobiusFermionD;
 
-//typedef ZMobiusFermion<ZWilsonImplRL> ZMobiusFermionRL;
+typedef ScaledShamirFermion<WilsonImplD2> ScaledShamirFermionD2;
-//typedef ZMobiusFermion<ZWilsonImplFH> ZMobiusFermionFH;
-//typedef ZMobiusFermion<ZWilsonImplDF> ZMobiusFermionDF;
-
-// Ls vectorised
-typedef ScaledShamirFermion<WilsonImplR> ScaledShamirFermionR;
 typedef ScaledShamirFermion<WilsonImplF> ScaledShamirFermionF;
 typedef ScaledShamirFermion<WilsonImplD> ScaledShamirFermionD;
 
-typedef MobiusZolotarevFermion<WilsonImplR> MobiusZolotarevFermionR;
+typedef MobiusZolotarevFermion<WilsonImplD2> MobiusZolotarevFermionD2;
 typedef MobiusZolotarevFermion<WilsonImplF> MobiusZolotarevFermionF;
 typedef MobiusZolotarevFermion<WilsonImplD> MobiusZolotarevFermionD;
-typedef ShamirZolotarevFermion<WilsonImplR> ShamirZolotarevFermionR;
+typedef ShamirZolotarevFermion<WilsonImplD2> ShamirZolotarevFermionD2;
 typedef ShamirZolotarevFermion<WilsonImplF> ShamirZolotarevFermionF;
 typedef ShamirZolotarevFermion<WilsonImplD> ShamirZolotarevFermionD;
 
-typedef OverlapWilsonCayleyTanhFermion<WilsonImplR> OverlapWilsonCayleyTanhFermionR;
+typedef OverlapWilsonCayleyTanhFermion<WilsonImplD2> OverlapWilsonCayleyTanhFermionD2;
 typedef OverlapWilsonCayleyTanhFermion<WilsonImplF> OverlapWilsonCayleyTanhFermionF;
 typedef OverlapWilsonCayleyTanhFermion<WilsonImplD> OverlapWilsonCayleyTanhFermionD;
-typedef OverlapWilsonCayleyZolotarevFermion<WilsonImplR> OverlapWilsonCayleyZolotarevFermionR;
+typedef OverlapWilsonCayleyZolotarevFermion<WilsonImplD2> OverlapWilsonCayleyZolotarevFermionD2;
 typedef OverlapWilsonCayleyZolotarevFermion<WilsonImplF> OverlapWilsonCayleyZolotarevFermionF;
 typedef OverlapWilsonCayleyZolotarevFermion<WilsonImplD> OverlapWilsonCayleyZolotarevFermionD;
 
 // Continued fraction
-typedef OverlapWilsonContFracTanhFermion<WilsonImplR> OverlapWilsonContFracTanhFermionR;
+typedef OverlapWilsonContFracTanhFermion<WilsonImplD2> OverlapWilsonContFracTanhFermionD2;
 typedef OverlapWilsonContFracTanhFermion<WilsonImplF> OverlapWilsonContFracTanhFermionF;
 typedef OverlapWilsonContFracTanhFermion<WilsonImplD> OverlapWilsonContFracTanhFermionD;
-typedef OverlapWilsonContFracZolotarevFermion<WilsonImplR> OverlapWilsonContFracZolotarevFermionR;
+typedef OverlapWilsonContFracZolotarevFermion<WilsonImplD2> OverlapWilsonContFracZolotarevFermionD2;
 typedef OverlapWilsonContFracZolotarevFermion<WilsonImplF> OverlapWilsonContFracZolotarevFermionF;
 typedef OverlapWilsonContFracZolotarevFermion<WilsonImplD> OverlapWilsonContFracZolotarevFermionD;
 
 // Partial fraction
-typedef OverlapWilsonPartialFractionTanhFermion<WilsonImplR> OverlapWilsonPartialFractionTanhFermionR;
+typedef OverlapWilsonPartialFractionTanhFermion<WilsonImplD2> OverlapWilsonPartialFractionTanhFermionD2;
 typedef OverlapWilsonPartialFractionTanhFermion<WilsonImplF> OverlapWilsonPartialFractionTanhFermionF;
 typedef OverlapWilsonPartialFractionTanhFermion<WilsonImplD> OverlapWilsonPartialFractionTanhFermionD;
 
-typedef OverlapWilsonPartialFractionZolotarevFermion<WilsonImplR> OverlapWilsonPartialFractionZolotarevFermionR;
+typedef OverlapWilsonPartialFractionZolotarevFermion<WilsonImplD2> OverlapWilsonPartialFractionZolotarevFermionD2;
 typedef OverlapWilsonPartialFractionZolotarevFermion<WilsonImplF> OverlapWilsonPartialFractionZolotarevFermionF;
 typedef OverlapWilsonPartialFractionZolotarevFermion<WilsonImplD> OverlapWilsonPartialFractionZolotarevFermionD;
 
 // Gparity cases; partial list until tested
-typedef WilsonFermion<GparityWilsonImplR>     GparityWilsonFermionR;
 typedef WilsonFermion<GparityWilsonImplF>     GparityWilsonFermionF;
 typedef WilsonFermion<GparityWilsonImplD>     GparityWilsonFermionD;
 
-//typedef WilsonFermion<GparityWilsonImplRL>     GparityWilsonFermionRL;
-//typedef WilsonFermion<GparityWilsonImplFH>     GparityWilsonFermionFH;
-//typedef WilsonFermion<GparityWilsonImplDF>     GparityWilsonFermionDF;
-
-typedef DomainWallFermion<GparityWilsonImplR> GparityDomainWallFermionR;
 typedef DomainWallFermion<GparityWilsonImplF> GparityDomainWallFermionF;
 typedef DomainWallFermion<GparityWilsonImplD> GparityDomainWallFermionD;
 
-//typedef DomainWallFermion<GparityWilsonImplRL> GparityDomainWallFermionRL;
+typedef DomainWallEOFAFermion<GparityWilsonImplR> GparityDomainWallEOFAFermionD2;
-//typedef DomainWallFermion<GparityWilsonImplFH> GparityDomainWallFermionFH;
-//typedef DomainWallFermion<GparityWilsonImplDF> GparityDomainWallFermionDF;
-
-typedef DomainWallEOFAFermion<GparityWilsonImplR> GparityDomainWallEOFAFermionR;
 typedef DomainWallEOFAFermion<GparityWilsonImplF> GparityDomainWallEOFAFermionF;
 typedef DomainWallEOFAFermion<GparityWilsonImplD> GparityDomainWallEOFAFermionD;
 
-//typedef DomainWallEOFAFermion<GparityWilsonImplRL> GparityDomainWallEOFAFermionRL;
+typedef WilsonTMFermion<GparityWilsonImplR> GparityWilsonTMFermionD2;
-//typedef DomainWallEOFAFermion<GparityWilsonImplFH> GparityDomainWallEOFAFermionFH;
-//typedef DomainWallEOFAFermion<GparityWilsonImplDF> GparityDomainWallEOFAFermionDF;
-
-typedef WilsonTMFermion<GparityWilsonImplR> GparityWilsonTMFermionR;
 typedef WilsonTMFermion<GparityWilsonImplF> GparityWilsonTMFermionF;
 typedef WilsonTMFermion<GparityWilsonImplD> GparityWilsonTMFermionD;
 
-//typedef WilsonTMFermion<GparityWilsonImplRL> GparityWilsonTMFermionRL;
+typedef MobiusFermion<GparityWilsonImplR> GparityMobiusFermionD2;
-//typedef WilsonTMFermion<GparityWilsonImplFH> GparityWilsonTMFermionFH;
-//typedef WilsonTMFermion<GparityWilsonImplDF> GparityWilsonTMFermionDF;
-
-typedef MobiusFermion<GparityWilsonImplR> GparityMobiusFermionR;
 typedef MobiusFermion<GparityWilsonImplF> GparityMobiusFermionF;
 typedef MobiusFermion<GparityWilsonImplD> GparityMobiusFermionD;
 
-//typedef MobiusFermion<GparityWilsonImplRL> GparityMobiusFermionRL;
+typedef MobiusEOFAFermion<GparityWilsonImplR> GparityMobiusEOFAFermionD2;
-//typedef MobiusFermion<GparityWilsonImplFH> GparityMobiusFermionFH;
-//typedef MobiusFermion<GparityWilsonImplDF> GparityMobiusFermionDF;
-
-typedef MobiusEOFAFermion<GparityWilsonImplR> GparityMobiusEOFAFermionR;
 typedef MobiusEOFAFermion<GparityWilsonImplF> GparityMobiusEOFAFermionF;
 typedef MobiusEOFAFermion<GparityWilsonImplD> GparityMobiusEOFAFermionD;
 
-//typedef MobiusEOFAFermion<GparityWilsonImplRL> GparityMobiusEOFAFermionRL;
-//typedef MobiusEOFAFermion<GparityWilsonImplFH> GparityMobiusEOFAFermionFH;
-//typedef MobiusEOFAFermion<GparityWilsonImplDF> GparityMobiusEOFAFermionDF;
-
-typedef ImprovedStaggeredFermion<StaggeredImplR> ImprovedStaggeredFermionR;
 typedef ImprovedStaggeredFermion<StaggeredImplF> ImprovedStaggeredFermionF;
 typedef ImprovedStaggeredFermion<StaggeredImplD> ImprovedStaggeredFermionD;
 
-typedef NaiveStaggeredFermion<StaggeredImplR> NaiveStaggeredFermionR;
 typedef NaiveStaggeredFermion<StaggeredImplF> NaiveStaggeredFermionF;
 typedef NaiveStaggeredFermion<StaggeredImplD> NaiveStaggeredFermionD;
 
-typedef ImprovedStaggeredFermion5D<StaggeredImplR> ImprovedStaggeredFermion5DR;
 typedef ImprovedStaggeredFermion5D<StaggeredImplF> ImprovedStaggeredFermion5DF;
 typedef ImprovedStaggeredFermion5D<StaggeredImplD> ImprovedStaggeredFermion5DD;
 

Grid/qcd/action/fermion/FermionOperator.h

@@ -49,6 +49,8 @@ public:
 
   virtual FermionField &tmp(void) = 0;
 
+  virtual void DirichletBlock(const Coordinate & _Block) { assert(0); };
+  
   GridBase * Grid(void)   { return FermionGrid(); };   // this is all the linalg routines need to know
   GridBase * RedBlackGrid(void) { return FermionRedBlackGrid(); };
 

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

@@ -47,18 +47,6 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  ////////////////////////////////////////
-  // Performance monitoring
-  ////////////////////////////////////////
-  void Report(void);
-  void ZeroCounters(void);
-  double DhopTotalTime;
-  double DhopCalls;
-  double DhopCommTime;
-  double DhopComputeTime;
-  double DhopComputeTime2;
-  double DhopFaceTime;
-
   ///////////////////////////////////////////////////////////////
   // Implement the abstract base
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/ImprovedStaggeredFermion5D.h

@@ -52,18 +52,6 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  ////////////////////////////////////////
-  // Performance monitoring
-  ////////////////////////////////////////
-  void Report(void);
-  void ZeroCounters(void);
-  double DhopTotalTime;
-  double DhopCalls;
-  double DhopCommTime;
-  double DhopComputeTime;
-  double DhopComputeTime2;
-  double DhopFaceTime;
-
   ///////////////////////////////////////////////////////////////
   // Implement the abstract base
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/NaiveStaggeredFermion.h

@@ -47,18 +47,6 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  ////////////////////////////////////////
-  // Performance monitoring
-  ////////////////////////////////////////
-  void Report(void);
-  void ZeroCounters(void);
-  double DhopTotalTime;
-  double DhopCalls;
-  double DhopCommTime;
-  double DhopComputeTime;
-  double DhopComputeTime2;
-  double DhopFaceTime;
-
   ///////////////////////////////////////////////////////////////
   // Implement the abstract base
   ///////////////////////////////////////////////////////////////

Grid/qcd/action/fermion/WilsonCompressor.h

@@ -32,17 +32,218 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
+///////////////////////////////////////////////////////////////
+// Wilson compressor will need FaceGather policies for:
+// Periodic, Dirichlet, and partial Dirichlet for DWF
+///////////////////////////////////////////////////////////////
+const int dwf_compressor_depth=2;
+#define DWF_COMPRESS
+class FaceGatherPartialDWF
+{
+public:
+#ifdef DWF_COMPRESS
+  static int PartialCompressionFactor(GridBase *grid) {return grid->_fdimensions[0]/(2*dwf_compressor_depth);};
+#else
+  static int PartialCompressionFactor(GridBase *grid) { return 1;}
+#endif
+  template<class vobj,class cobj,class compressor>
+  static void Gather_plane_simple (commVector<std::pair<int,int> >& table,
+				   const Lattice<vobj> &rhs,
+				   cobj *buffer,
+				   compressor &compress,
+				   int off,int so,int partial)
+  {
+    //DWF only hack: If a direction that is OFF node we use Partial Dirichlet
+    //  Shrinks local and remote comms buffers
+    GridBase *Grid = rhs.Grid();
+    int Ls = Grid->_rdimensions[0];
+#ifdef DWF_COMPRESS
+    int depth=dwf_compressor_depth;
+#else 
+    int depth=Ls/2;
+#endif
+    std::pair<int,int> *table_v = & table[0];
+    auto rhs_v = rhs.View(AcceleratorRead);
+    int vol=table.size()/Ls;
+    accelerator_forNB( idx,table.size(), vobj::Nsimd(), {
+	Integer i=idx/Ls;
+	Integer s=idx%Ls;
+	Integer sc=depth+s-(Ls-depth);
+	if(s<depth)     compress.Compress(buffer[off+i+s*vol],rhs_v[so+table_v[idx].second]);
+	if(s>=Ls-depth) compress.Compress(buffer[off+i+sc*vol],rhs_v[so+table_v[idx].second]);
+    });
+    rhs_v.ViewClose();
+  }
+  template<class decompressor,class Decompression>
+  static void DecompressFace(decompressor decompress,Decompression &dd)
+  {
+    auto Ls = dd.dims[0];
+#ifdef DWF_COMPRESS
+    int depth=dwf_compressor_depth;
+#else
+    int depth=Ls/2;
+#endif    
+    // Just pass in the Grid
+    auto kp = dd.kernel_p;
+    auto mp = dd.mpi_p;
+    int size= dd.buffer_size;
+    int vol= size/Ls;
+    accelerator_forNB(o,size,1,{
+	int idx=o/Ls;
+	int   s=o%Ls;
+	if ( s < depth ) {
+	  int oo=s*vol+idx;
+	  kp[o]=mp[oo];
+	} else if ( s >= Ls-depth ) {
+	  int sc = depth + s - (Ls-depth);
+	  int oo=sc*vol+idx; 
+	  kp[o]=mp[oo];
+	} else {
+	  kp[o] = Zero();//fill rest with zero if partial dirichlet
+	}
+    });
+  }
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Need to gather *interior portions* for ALL s-slices in simd directions
+  // Do the gather as need to treat SIMD lanes differently, and insert zeroes on receive side
+  // Reorder the fifth dim to be s=Ls-1 , s=0, s=1,...,Ls-2.
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  template<class vobj,class cobj,class compressor>
+  static void Gather_plane_exchange(commVector<std::pair<int,int> >& table,const Lattice<vobj> &rhs,
+				    std::vector<cobj *> pointers,int dimension,int plane,int cbmask,
+				    compressor &compress,int type,int partial)
+  {
+    GridBase *Grid = rhs.Grid();
+    int Ls = Grid->_rdimensions[0];
+#ifdef DWF_COMPRESS
+    int depth=dwf_compressor_depth;
+#else
+    int depth = Ls/2;
+#endif
+    
+    // insertion of zeroes...
+    assert( (table.size()&0x1)==0);
+    int num=table.size()/2;
+    int so  = plane*rhs.Grid()->_ostride[dimension]; // base offset for start of plane
+    
+    auto rhs_v = rhs.View(AcceleratorRead);
+    auto p0=&pointers[0][0];
+    auto p1=&pointers[1][0];
+    auto tp=&table[0];
+    int nnum=num/Ls;
+    accelerator_forNB(j, num, vobj::Nsimd(), {
+	//  Reorders both local and remote comms buffers
+	//  
+	int s  = j % Ls;
+	int sp1 = (s+depth)%Ls;  // peri incremented s slice
+	
+	int hxyz= j/Ls;
+
+	int xyz0= hxyz*2; // xyzt part of coor
+	int xyz1= hxyz*2+1;
+	
+	int jj= hxyz + sp1*nnum ; // 0,1,2,3 -> Ls-1 slice , 0-slice, 1-slice ....
+	
+	int kk0= xyz0*Ls + s ; // s=0 goes to s=1
+	int kk1= xyz1*Ls + s ; // s=Ls-1 -> s=0
+	compress.CompressExchange(p0[jj],p1[jj],
+				  rhs_v[so+tp[kk0 ].second], // Same s, consecutive xyz sites
+				  rhs_v[so+tp[kk1 ].second], 
+				  type);
+    });
+    rhs_v.ViewClose();
+  }
+  // Merge routine is for SIMD faces
+  template<class decompressor,class Merger>
+  static void MergeFace(decompressor decompress,Merger &mm)
+  {
+    auto Ls = mm.dims[0];
+#ifdef DWF_COMPRESS
+    int depth=dwf_compressor_depth;
+#else
+    int depth = Ls/2;
+#endif
+    int  num= mm.buffer_size/2; // relate vol and Ls to buffer size
+    auto mp = &mm.mpointer[0];
+    auto vp0= &mm.vpointers[0][0]; // First arg is exchange first
+    auto vp1= &mm.vpointers[1][0];
+    auto type= mm.type;
+    int nnum = num/Ls;
+    accelerator_forNB(o,num,Merger::Nsimd,{
+
+	int  s=o%Ls;
+	int hxyz=o/Ls; // xyzt related component
+	int xyz0=hxyz*2;
+	int xyz1=hxyz*2+1;
+
+	int sp = (s+depth)%Ls; 
+	int jj= hxyz + sp*nnum ; // 0,1,2,3 -> Ls-1 slice , 0-slice, 1-slice ....
+
+	int oo0= s+xyz0*Ls;
+	int oo1= s+xyz1*Ls;
+
+	// same ss0, ss1 pair goes to new layout
+	decompress.Exchange(mp[oo0],mp[oo1],vp0[jj],vp1[jj],type);
+      });
+  }
+};
+class FaceGatherDWFMixedBCs
+{
+public:
+#ifdef DWF_COMPRESS
+  static int PartialCompressionFactor(GridBase *grid) {return grid->_fdimensions[0]/(2*dwf_compressor_depth);};
+#else 
+  static int PartialCompressionFactor(GridBase *grid) {return 1;}
+#endif
+  
+  template<class vobj,class cobj,class compressor>
+  static void Gather_plane_simple (commVector<std::pair<int,int> >& table,
+					 const Lattice<vobj> &rhs,
+					 cobj *buffer,
+					 compressor &compress,
+					 int off,int so,int partial)
+  {
+    //    std::cout << " face gather simple DWF partial "<<partial <<std::endl;
+    if(partial) FaceGatherPartialDWF::Gather_plane_simple(table,rhs,buffer,compress,off,so,partial);
+    else        FaceGatherSimple::Gather_plane_simple(table,rhs,buffer,compress,off,so,partial);
+  }
+  template<class vobj,class cobj,class compressor>
+  static void Gather_plane_exchange(commVector<std::pair<int,int> >& table,const Lattice<vobj> &rhs,
+				    std::vector<cobj *> pointers,int dimension,int plane,int cbmask,
+				    compressor &compress,int type,int partial)
+  {
+    //    std::cout << " face gather exch DWF partial "<<partial <<std::endl;
+    if(partial) FaceGatherPartialDWF::Gather_plane_exchange(table,rhs,pointers,dimension, plane,cbmask,compress,type,partial);
+    else        FaceGatherSimple::Gather_plane_exchange    (table,rhs,pointers,dimension, plane,cbmask,compress,type,partial);
+  }
+  template<class decompressor,class Merger>
+  static void MergeFace(decompressor decompress,Merger &mm)
+  {
+    int partial = mm.partial;
+    //    std::cout << " merge DWF partial "<<partial <<std::endl;
+    if ( partial ) FaceGatherPartialDWF::MergeFace(decompress,mm);
+    else           FaceGatherSimple::MergeFace(decompress,mm);
+  }
+
+  template<class decompressor,class Decompression>
+  static void DecompressFace(decompressor decompress,Decompression &dd)
+  {
+    int partial = dd.partial;
+    //    std::cout << " decompress DWF partial "<<partial <<std::endl;
+    if ( partial ) FaceGatherPartialDWF::DecompressFace(decompress,dd);
+    else           FaceGatherSimple::DecompressFace(decompress,dd);
+  }
+};
+
 /////////////////////////////////////////////////////////////////////////////////////////////
-// optimised versions supporting half precision too
+// optimised versions supporting half precision too??? Deprecate
 /////////////////////////////////////////////////////////////////////////////////////////////
 
-template<class _HCspinor,class _Hspinor,class _Spinor, class projector,typename SFINAE = void >
-class WilsonCompressorTemplate;
-
 
+//Could make FaceGather a template param, but then behaviour is runtime not compile time
 template<class _HCspinor,class _Hspinor,class _Spinor, class projector>
-class WilsonCompressorTemplate< _HCspinor, _Hspinor, _Spinor, projector,
+class WilsonCompressorTemplate  : public FaceGatherDWFMixedBCs
-				typename std::enable_if<std::is_same<_HCspinor,_Hspinor>::value>::type >
+//  : public FaceGatherSimple
 {
 public:
   
@@ -79,18 +280,19 @@ public:
   /*****************************************************/
   /* Exchange includes precision change if mpi data is not same */
   /*****************************************************/
-  accelerator_inline void Exchange(SiteHalfSpinor *mp,
+  accelerator_inline void Exchange(SiteHalfSpinor &mp0,
-				   const SiteHalfSpinor * __restrict__ vp0,
+				   SiteHalfSpinor &mp1,
-				   const SiteHalfSpinor * __restrict__ vp1,
+				   const SiteHalfSpinor & vp0,
-				   Integer type,Integer o) const {
+				   const SiteHalfSpinor & vp1,
+				   Integer type) const {
 #ifdef GRID_SIMT
-    exchangeSIMT(mp[2*o],mp[2*o+1],vp0[o],vp1[o],type);
+    exchangeSIMT(mp0,mp1,vp0,vp1,type);
 #else
     SiteHalfSpinor tmp1;
     SiteHalfSpinor tmp2;
-    exchange(tmp1,tmp2,vp0[o],vp1[o],type);
+    exchange(tmp1,tmp2,vp0,vp1,type);
-    vstream(mp[2*o  ],tmp1);
+    vstream(mp0,tmp1);
-    vstream(mp[2*o+1],tmp2);
+    vstream(mp1,tmp2);
 #endif
   }
   
@@ -98,153 +300,61 @@ public:
   /*****************************************************/
   /* Have a decompression step if mpi data is not same */
   /*****************************************************/
-  accelerator_inline void Decompress(SiteHalfSpinor * __restrict__ out,
+  accelerator_inline void Decompress(SiteHalfSpinor &out,
-				     SiteHalfSpinor * __restrict__ in, Integer o) const {    
+				     SiteHalfSpinor &in) const {    
-    assert(0);
+    out = in;
   }
 
   /*****************************************************/
   /* Compress Exchange                                 */
   /*****************************************************/
-  accelerator_inline void CompressExchange(SiteHalfSpinor * __restrict__ out0,
+  accelerator_inline void CompressExchange(SiteHalfSpinor &out0,
-					   SiteHalfSpinor * __restrict__ out1,
+					   SiteHalfSpinor &out1,
-					   const SiteSpinor * __restrict__ in,
+					   const SiteSpinor &in0,
-					   Integer j,Integer k, Integer m,Integer type) const
+					   const SiteSpinor &in1,
+					   Integer type) const
   {
 #ifdef GRID_SIMT
     typedef SiteSpinor vobj;
     typedef SiteHalfSpinor hvobj;
-    typedef decltype(coalescedRead(*in))    sobj;
+    typedef decltype(coalescedRead(in0))    sobj;
-    typedef decltype(coalescedRead(*out0)) hsobj;
+    typedef decltype(coalescedRead(out0)) hsobj;
 
     constexpr unsigned int Nsimd = vobj::Nsimd();
     unsigned int mask = Nsimd >> (type + 1);
     int lane = acceleratorSIMTlane(Nsimd);
     int j0 = lane &(~mask); // inner coor zero
     int j1 = lane |(mask) ; // inner coor one
-    const vobj *vp0 = &in[k];  // out0[j] = merge low bit of type from in[k] and in[m] 
+    const vobj *vp0 = &in0;
-    const vobj *vp1 = &in[m];  // out1[j] = merge hi  bit of type from in[k] and in[m]
+    const vobj *vp1 = &in1;
-    const vobj *vp = (lane&mask) ? vp1:vp0;// if my lane has high bit take vp1, low bit take vp0
+    const vobj *vp = (lane&mask) ? vp1:vp0;
-    auto sa = coalescedRead(*vp,j0); // lane to read for out 0, NB 50% read coalescing
+    auto sa = coalescedRead(*vp,j0);
-    auto sb = coalescedRead(*vp,j1); // lane to read for out 1
+    auto sb = coalescedRead(*vp,j1);
     hsobj psa, psb;
-    projector::Proj(psa,sa,mu,dag);  // spin project the result0
+    projector::Proj(psa,sa,mu,dag);
-    projector::Proj(psb,sb,mu,dag);  // spin project the result1
+    projector::Proj(psb,sb,mu,dag);
-    coalescedWrite(out0[j],psa);
+    coalescedWrite(out0,psa);
-    coalescedWrite(out1[j],psb);
+    coalescedWrite(out1,psb);
 #else
     SiteHalfSpinor temp1, temp2;
     SiteHalfSpinor temp3, temp4;
-    projector::Proj(temp1,in[k],mu,dag);
+    projector::Proj(temp1,in0,mu,dag);
-    projector::Proj(temp2,in[m],mu,dag);
+    projector::Proj(temp2,in1,mu,dag);
     exchange(temp3,temp4,temp1,temp2,type);
-    vstream(out0[j],temp3);
+    vstream(out0,temp3);
-    vstream(out1[j],temp4);
+    vstream(out1,temp4);
 #endif
   }
 
   /*****************************************************/
   /* Pass the info to the stencil */
   /*****************************************************/
-  accelerator_inline bool DecompressionStep(void) const { return false; }
+  accelerator_inline bool DecompressionStep(void) const {
+    return false;
+  }
 
 };
 
-#if 0
-template<class _HCspinor,class _Hspinor,class _Spinor, class projector>
-class WilsonCompressorTemplate< _HCspinor, _Hspinor, _Spinor, projector,
-				typename std::enable_if<!std::is_same<_HCspinor,_Hspinor>::value>::type >
-{
-public:
-  
-  int mu,dag;  
-
-  void Point(int p) { mu=p; };
-
-  WilsonCompressorTemplate(int _dag=0){
-    dag = _dag;
-  }
-
-  typedef _Spinor         SiteSpinor;
-  typedef _Hspinor     SiteHalfSpinor;
-  typedef _HCspinor SiteHalfCommSpinor;
-  typedef typename SiteHalfCommSpinor::vector_type vComplexLow;
-  typedef typename SiteHalfSpinor::vector_type     vComplexHigh;
-  constexpr static int Nw=sizeof(SiteHalfSpinor)/sizeof(vComplexHigh);
-
-  accelerator_inline int CommDatumSize(void) const {
-    return sizeof(SiteHalfCommSpinor);
-  }
-
-  /*****************************************************/
-  /* Compress includes precision change if mpi data is not same */
-  /*****************************************************/
-  accelerator_inline void Compress(SiteHalfSpinor &buf,const SiteSpinor &in) const {
-    SiteHalfSpinor hsp;
-    SiteHalfCommSpinor *hbuf = (SiteHalfCommSpinor *)buf;
-    projector::Proj(hsp,in,mu,dag);
-    precisionChange((vComplexLow *)&hbuf[o],(vComplexHigh *)&hsp,Nw);
-  }
-  accelerator_inline void Compress(SiteHalfSpinor &buf,const SiteSpinor &in) const {
-#ifdef GRID_SIMT
-    typedef decltype(coalescedRead(buf)) sobj;
-    sobj sp;
-    auto sin = coalescedRead(in);
-    projector::Proj(sp,sin,mu,dag);
-    coalescedWrite(buf,sp);
-#else
-    projector::Proj(buf,in,mu,dag);
-#endif
-  }
-
-  /*****************************************************/
-  /* Exchange includes precision change if mpi data is not same */
-  /*****************************************************/
-  accelerator_inline void Exchange(SiteHalfSpinor *mp,
-                       SiteHalfSpinor *vp0,
-                       SiteHalfSpinor *vp1,
-		       Integer type,Integer o) const {
-    SiteHalfSpinor vt0,vt1;
-    SiteHalfCommSpinor *vpp0 = (SiteHalfCommSpinor *)vp0;
-    SiteHalfCommSpinor *vpp1 = (SiteHalfCommSpinor *)vp1;
-    precisionChange((vComplexHigh *)&vt0,(vComplexLow *)&vpp0[o],Nw);
-    precisionChange((vComplexHigh *)&vt1,(vComplexLow *)&vpp1[o],Nw);
-    exchange(mp[2*o],mp[2*o+1],vt0,vt1,type);
-  }
-
-  /*****************************************************/
-  /* Have a decompression step if mpi data is not same */
-  /*****************************************************/
-  accelerator_inline void Decompress(SiteHalfSpinor *out, SiteHalfSpinor *in, Integer o) const {
-    SiteHalfCommSpinor *hin=(SiteHalfCommSpinor *)in;
-    precisionChange((vComplexHigh *)&out[o],(vComplexLow *)&hin[o],Nw);
-  }
-
-  /*****************************************************/
-  /* Compress Exchange                                 */
-  /*****************************************************/
-  accelerator_inline void CompressExchange(SiteHalfSpinor *out0,
-			       SiteHalfSpinor *out1,
-			       const SiteSpinor *in,
-			       Integer j,Integer k, Integer m,Integer type) const {
-    SiteHalfSpinor temp1, temp2,temp3,temp4;
-    SiteHalfCommSpinor *hout0 = (SiteHalfCommSpinor *)out0;
-    SiteHalfCommSpinor *hout1 = (SiteHalfCommSpinor *)out1;
-    projector::Proj(temp1,in[k],mu,dag);
-    projector::Proj(temp2,in[m],mu,dag);
-    exchange(temp3,temp4,temp1,temp2,type);
-    precisionChange((vComplexLow *)&hout0[j],(vComplexHigh *)&temp3,Nw);
-    precisionChange((vComplexLow *)&hout1[j],(vComplexHigh *)&temp4,Nw);
-  }
-
-  /*****************************************************/
-  /* Pass the info to the stencil */
-  /*****************************************************/
-  accelerator_inline bool DecompressionStep(void) const { return true; }
-
-};
-#endif
-
 #define DECLARE_PROJ(Projector,Compressor,spProj)			\
   class Projector {							\
   public:								\
@@ -294,11 +404,7 @@ public:
   typedef typename Base::View_type View_type;
   typedef typename Base::StencilVector StencilVector;
 
-  void ZeroCountersi(void)  {  }
+  //  Vector<int> surface_list;
-  void Reporti(int calls)  {  }
-
-  std::vector<int> surface_list;
-
   WilsonStencil(GridBase *grid,
 		int npoints,
 		int checkerboard,
@@ -306,11 +412,11 @@ public:
 		const std::vector<int> &distances,Parameters p)  
     : CartesianStencil<vobj,cobj,Parameters> (grid,npoints,checkerboard,directions,distances,p) 
   { 
-    ZeroCountersi();
+    //    surface_list.resize(0);
-    surface_list.resize(0);
     this->same_node.resize(npoints);
   };
 
+  /*
   void BuildSurfaceList(int Ls,int vol4){
 
     // find same node for SHM
@@ -331,6 +437,7 @@ public:
       }
     }
   }
+  */
   
   template < class compressor>
   void HaloExchangeOpt(const Lattice<vobj> &source,compressor &compress) 
@@ -377,28 +484,29 @@ public:
 
     int dag = compress.dag;
     int face_idx=0;
+#define vet_same_node(a,b) \
+      { auto tmp = b;  }
     if ( dag ) { 
-      assert(this->same_node[Xp]==this->HaloGatherDir(source,XpCompress,Xp,face_idx));
+      vet_same_node(this->same_node[Xp],this->HaloGatherDir(source,XpCompress,Xp,face_idx));
-      assert(this->same_node[Yp]==this->HaloGatherDir(source,YpCompress,Yp,face_idx));
+      vet_same_node(this->same_node[Yp],this->HaloGatherDir(source,YpCompress,Yp,face_idx));
-      assert(this->same_node[Zp]==this->HaloGatherDir(source,ZpCompress,Zp,face_idx));
+      vet_same_node(this->same_node[Zp],this->HaloGatherDir(source,ZpCompress,Zp,face_idx));
-      assert(this->same_node[Tp]==this->HaloGatherDir(source,TpCompress,Tp,face_idx));
+      vet_same_node(this->same_node[Tp],this->HaloGatherDir(source,TpCompress,Tp,face_idx));
-      assert(this->same_node[Xm]==this->HaloGatherDir(source,XmCompress,Xm,face_idx));
+      vet_same_node(this->same_node[Xm],this->HaloGatherDir(source,XmCompress,Xm,face_idx));
-      assert(this->same_node[Ym]==this->HaloGatherDir(source,YmCompress,Ym,face_idx));
+      vet_same_node(this->same_node[Ym],this->HaloGatherDir(source,YmCompress,Ym,face_idx));
-      assert(this->same_node[Zm]==this->HaloGatherDir(source,ZmCompress,Zm,face_idx));
+      vet_same_node(this->same_node[Zm],this->HaloGatherDir(source,ZmCompress,Zm,face_idx));
-      assert(this->same_node[Tm]==this->HaloGatherDir(source,TmCompress,Tm,face_idx));
+      vet_same_node(this->same_node[Tm],this->HaloGatherDir(source,TmCompress,Tm,face_idx));
     } else {
-      assert(this->same_node[Xp]==this->HaloGatherDir(source,XmCompress,Xp,face_idx));
+      vet_same_node(this->same_node[Xp],this->HaloGatherDir(source,XmCompress,Xp,face_idx));
-      assert(this->same_node[Yp]==this->HaloGatherDir(source,YmCompress,Yp,face_idx));
+      vet_same_node(this->same_node[Yp],this->HaloGatherDir(source,YmCompress,Yp,face_idx));
-      assert(this->same_node[Zp]==this->HaloGatherDir(source,ZmCompress,Zp,face_idx));
+      vet_same_node(this->same_node[Zp],this->HaloGatherDir(source,ZmCompress,Zp,face_idx));
-      assert(this->same_node[Tp]==this->HaloGatherDir(source,TmCompress,Tp,face_idx));
+      vet_same_node(this->same_node[Tp],this->HaloGatherDir(source,TmCompress,Tp,face_idx));
-      assert(this->same_node[Xm]==this->HaloGatherDir(source,XpCompress,Xm,face_idx));
+      vet_same_node(this->same_node[Xm],this->HaloGatherDir(source,XpCompress,Xm,face_idx));
-      assert(this->same_node[Ym]==this->HaloGatherDir(source,YpCompress,Ym,face_idx));
+      vet_same_node(this->same_node[Ym],this->HaloGatherDir(source,YpCompress,Ym,face_idx));
-      assert(this->same_node[Zm]==this->HaloGatherDir(source,ZpCompress,Zm,face_idx));
+      vet_same_node(this->same_node[Zm],this->HaloGatherDir(source,ZpCompress,Zm,face_idx));
-      assert(this->same_node[Tm]==this->HaloGatherDir(source,TpCompress,Tm,face_idx));
+      vet_same_node(this->same_node[Tm],this->HaloGatherDir(source,TpCompress,Tm,face_idx));
     }
     this->face_table_computed=1;
     assert(this->u_comm_offset==this->_unified_buffer_size);
-    accelerator_barrier();
   }
 
 };

Grid/qcd/action/fermion/WilsonFermion.h

@@ -74,20 +74,6 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  void Report(void);
-  void ZeroCounters(void);
-  double DhopCalls;
-  double DhopCommTime;
-  double DhopComputeTime;
-  double DhopComputeTime2;
-  double DhopFaceTime;
-  double DhopTotalTime;
-
-  double DerivCalls;
-  double DerivCommTime;
-  double DerivComputeTime;
-  double DerivDhopComputeTime;
-
   //////////////////////////////////////////////////////////////////
   // override multiply; cut number routines if pass dagger argument
   // and also make interface more uniformly consistent

Grid/qcd/action/fermion/WilsonFermion5D.h

@@ -75,19 +75,8 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
-  void Report(void);
+  int Dirichlet;
-  void ZeroCounters(void);
+  Coordinate Block; 
-  double DhopCalls;
-  double DhopCommTime;
-  double DhopComputeTime;
-  double DhopComputeTime2;
-  double DhopFaceTime;
-  double DhopTotalTime;
-
-  double DerivCalls;
-  double DerivCommTime;
-  double DerivComputeTime;
-  double DerivDhopComputeTime;
 
   ///////////////////////////////////////////////////////////////
   // Implement the abstract base
@@ -174,6 +163,9 @@ public:
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  double _M5,const ImplParams &p= ImplParams());
 
+  virtual void DirichletBlock(const Coordinate & block)
+  {
+  }
   // Constructors
   /*
     WilsonFermion5D(int simd, 

Grid/qcd/action/fermion/WilsonImpl.h

@@ -242,18 +242,12 @@ public:
 typedef WilsonImpl<vComplex,  FundamentalRepresentation, CoeffReal > WilsonImplR;  // Real.. whichever prec
 typedef WilsonImpl<vComplexF, FundamentalRepresentation, CoeffReal > WilsonImplF;  // Float
 typedef WilsonImpl<vComplexD, FundamentalRepresentation, CoeffReal > WilsonImplD;  // Double
-
+typedef WilsonImpl<vComplexD2, FundamentalRepresentation, CoeffReal > WilsonImplD2;  // Double
-//typedef WilsonImpl<vComplex,  FundamentalRepresentation, CoeffRealHalfComms > WilsonImplRL;  // Real.. whichever prec
-//typedef WilsonImpl<vComplexF, FundamentalRepresentation, CoeffRealHalfComms > WilsonImplFH;  // Float
-//typedef WilsonImpl<vComplexD, FundamentalRepresentation, CoeffRealHalfComms > WilsonImplDF;  // Double
 
 typedef WilsonImpl<vComplex,  FundamentalRepresentation, CoeffComplex > ZWilsonImplR; // Real.. whichever prec
 typedef WilsonImpl<vComplexF, FundamentalRepresentation, CoeffComplex > ZWilsonImplF; // Float
 typedef WilsonImpl<vComplexD, FundamentalRepresentation, CoeffComplex > ZWilsonImplD; // Double
-
+typedef WilsonImpl<vComplexD2, FundamentalRepresentation, CoeffComplex > ZWilsonImplD2; // Double
-//typedef WilsonImpl<vComplex,  FundamentalRepresentation, CoeffComplexHalfComms > ZWilsonImplRL; // Real.. whichever prec
-//typedef WilsonImpl<vComplexF, FundamentalRepresentation, CoeffComplexHalfComms > ZWilsonImplFH; // Float
-//typedef WilsonImpl<vComplexD, FundamentalRepresentation, CoeffComplexHalfComms > ZWilsonImplDF; // Double
 
 typedef WilsonImpl<vComplex,  AdjointRepresentation, CoeffReal > WilsonAdjImplR;   // Real.. whichever prec
 typedef WilsonImpl<vComplexF, AdjointRepresentation, CoeffReal > WilsonAdjImplF;  // Float

Grid/qcd/action/fermion/WilsonKernels.h

@@ -52,13 +52,6 @@ public:
   typedef AcceleratorVector<int,STENCIL_MAX> StencilVector;   
 public:
 
-#ifdef GRID_SYCL
-#define SYCL_HACK
-#endif  
-#ifdef SYCL_HACK
-  static void HandDhopSiteSycl(StencilVector st_perm,StencilEntry *st_p, SiteDoubledGaugeField *U,SiteHalfSpinor  *buf,
-			       int ss,int sU,const SiteSpinor *in, SiteSpinor *out);
-#endif
   
   static void DhopKernel(int Opt,StencilImpl &st,  DoubledGaugeField &U, SiteHalfSpinor * buf,
 			 int Ls, int Nsite, const FermionField &in, FermionField &out,

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

@@ -152,58 +152,6 @@ void CayleyFermion5D<Impl>::DminusDag(const FermionField &psi, FermionField &chi
   }
 }
 
-template<class Impl> void CayleyFermion5D<Impl>::CayleyReport(void)
-{
-  this->Report();
-  Coordinate latt = GridDefaultLatt();          
-  RealD volume = this->Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-  RealD NP     = this->_FourDimGrid->_Nprocessors;
-  if ( M5Dcalls > 0 ) {
-    std::cout << GridLogMessage << "#### M5D calls report " << std::endl;
-    std::cout << GridLogMessage << "CayleyFermion5D Number of M5D Calls     : " << M5Dcalls   << std::endl;
-    std::cout << GridLogMessage << "CayleyFermion5D ComputeTime/Calls       : " << M5Dtime / M5Dcalls << " us" << std::endl;
-
-    // Flops = 10.0*(Nc*Ns) *Ls*vol
-    RealD mflops = 10.0*(Nc*Ns)*volume*M5Dcalls/M5Dtime/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-
-    // Bytes = sizeof(Real) * (Nc*Ns*Nreim) * Ls * vol * (read+write) (/2 for red black counting)
-    // read = 2 ( psi[ss+s+1] and psi[ss+s-1] count as 1 )
-    // write = 1
-    RealD Gbytes = sizeof(Real) * (Nc*Ns*2) * volume * 3 /2. * 1.e-9;
-    std::cout << GridLogMessage << "Average bandwidth (GB/s)                 : " << Gbytes/M5Dtime*M5Dcalls*1.e6 << std::endl;
-  }
-
-  if ( MooeeInvCalls > 0 ) {
-
-    std::cout << GridLogMessage << "#### MooeeInv calls report " << std::endl;
-    std::cout << GridLogMessage << "CayleyFermion5D Number of MooeeInv Calls     : " << MooeeInvCalls   << std::endl;
-    std::cout << GridLogMessage << "CayleyFermion5D ComputeTime/Calls            : " << MooeeInvTime / MooeeInvCalls << " us" << std::endl;
-#ifdef GRID_CUDA
-    RealD mflops = ( -16.*Nc*Ns+this->Ls*(1.+18.*Nc*Ns) )*volume*MooeeInvCalls/MooeeInvTime/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-#else
-    // Flops = MADD * Ls *Ls *4dvol * spin/colour/complex
-    RealD mflops = 2.0*24*this->Ls*volume*MooeeInvCalls/MooeeInvTime/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-#endif
-  }
-
-}
-template<class Impl> void CayleyFermion5D<Impl>::CayleyZeroCounters(void)
-{
-  this->ZeroCounters();
-  M5Dflops=0;
-  M5Dcalls=0;
-  M5Dtime=0;
-  MooeeInvFlops=0;
-  MooeeInvCalls=0;
-  MooeeInvTime=0;
-}
-
 template<class Impl>  
 void CayleyFermion5D<Impl>::M5D   (const FermionField &psi, FermionField &chi)
 {
@@ -646,7 +594,6 @@ void CayleyFermion5D<Impl>::ContractConservedCurrent( PropagatorField &q_in_1,
   assert(mass_plus == mass_minus);
   RealD mass = mass_plus;
   
-#if (!defined(GRID_HIP))
   Gamma::Algebra Gmu [] = {
     Gamma::Algebra::GammaX,
     Gamma::Algebra::GammaY,
@@ -765,7 +712,7 @@ void CayleyFermion5D<Impl>::ContractConservedCurrent( PropagatorField &q_in_1,
     else          q_out +=     C;
     
   }
-#endif
+
 }
 
 template <class Impl>
@@ -832,7 +779,6 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
   }
 #endif
 
-#if (!defined(GRID_HIP))
   int tshift = (mu == Nd-1) ? 1 : 0;
   unsigned int LLt    = GridDefaultLatt()[Tp];
   ////////////////////////////////////////////////
@@ -952,7 +898,6 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
 
     InsertSlice(L_Q, q_out, s , 0);
   }
-#endif
 }
 #undef Pp
 #undef Pm
@@ -960,88 +905,6 @@ void CayleyFermion5D<Impl>::SeqConservedCurrent(PropagatorField &q_in,
 #undef TopRowWithSource
 
 
-
-#if 0
-template<class Impl>
-void CayleyFermion5D<Impl>::MooeeInternalCompute(int dag, int inv,
-						 Vector<iSinglet<Simd> > & Matp,
-						 Vector<iSinglet<Simd> > & Matm)
-{
-  int Ls=this->Ls;
-
-  GridBase *grid = this->FermionRedBlackGrid();
-  int LLs = grid->_rdimensions[0];
-
-  if ( LLs == Ls ) {
-    return; // Not vectorised in 5th direction
-  }
-
-  Eigen::MatrixXcd Pplus  = Eigen::MatrixXcd::Zero(Ls,Ls);
-  Eigen::MatrixXcd Pminus = Eigen::MatrixXcd::Zero(Ls,Ls);
-  
-  for(int s=0;s<Ls;s++){
-    Pplus(s,s) = bee[s];
-    Pminus(s,s)= bee[s];
-  }
-  
-  for(int s=0;s<Ls-1;s++){
-    Pminus(s,s+1) = -cee[s];
-  }
-  
-  for(int s=0;s<Ls-1;s++){
-    Pplus(s+1,s) = -cee[s+1];
-  }
-  Pplus (0,Ls-1) = mass*cee[0];
-  Pminus(Ls-1,0) = mass*cee[Ls-1];
-  
-  Eigen::MatrixXcd PplusMat ;
-  Eigen::MatrixXcd PminusMat;
-  
-  if ( inv ) {
-    PplusMat =Pplus.inverse();
-    PminusMat=Pminus.inverse();
-  } else { 
-    PplusMat =Pplus;
-    PminusMat=Pminus;
-  }
-  
-  if(dag){
-    PplusMat.adjointInPlace();
-    PminusMat.adjointInPlace();
-  }
-  
-  typedef typename SiteHalfSpinor::scalar_type scalar_type;
-  const int Nsimd=Simd::Nsimd();
-  Matp.resize(Ls*LLs);
-  Matm.resize(Ls*LLs);
-
-  for(int s2=0;s2<Ls;s2++){
-    for(int s1=0;s1<LLs;s1++){
-      int istride = LLs;
-      int ostride = 1;
-      Simd Vp;
-      Simd Vm;
-      scalar_type *sp = (scalar_type *)&Vp;
-      scalar_type *sm = (scalar_type *)&Vm;
-      for(int l=0;l<Nsimd;l++){
-	if ( switcheroo<Coeff_t>::iscomplex() ) {
-	  sp[l] = PplusMat (l*istride+s1*ostride,s2);
-	  sm[l] = PminusMat(l*istride+s1*ostride,s2);
-	} else { 
-	  // if real
-	  scalar_type tmp;
-	  tmp = PplusMat (l*istride+s1*ostride,s2);
-	  sp[l] = scalar_type(tmp.real(),tmp.real());
-	  tmp = PminusMat(l*istride+s1*ostride,s2);
-	  sm[l] = scalar_type(tmp.real(),tmp.real());
-	}
-      }
-      Matp[LLs*s2+s1] = Vp;
-      Matm[LLs*s2+s1] = Vm;
-    }}
-}
-#endif
-
 NAMESPACE_END(Grid);
 
 

Grid/qcd/action/fermion/implementation/CayleyFermion5Dcache.h

@@ -63,23 +63,18 @@ CayleyFermion5D<Impl>::M5D(const FermionField &psi_i,
 
   // 10 = 3 complex mult + 2 complex add
   // Flops = 10.0*(Nc*Ns) *Ls*vol (/2 for red black counting)
-  M5Dcalls++;
+  uint64_t nloop = grid->oSites();
-  M5Dtime-=usecond();
-
-  uint64_t nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
-    uint64_t ss= sss*Ls;
+    uint64_t s = sss%Ls;
+    uint64_t ss= sss-s;
     typedef decltype(coalescedRead(psi[0])) spinor;
     spinor tmp1, tmp2;
-    for(int s=0;s<Ls;s++){
     uint64_t idx_u = ss+((s+1)%Ls);
     uint64_t idx_l = ss+((s+Ls-1)%Ls);
     spProj5m(tmp1,psi(idx_u));
     spProj5p(tmp2,psi(idx_l));
     coalescedWrite(chi[ss+s],pdiag[s]*phi(ss+s)+pupper[s]*tmp1+plower[s]*tmp2);
-    }
   });
-  M5Dtime+=usecond();
 }
 
 template<class Impl>  
@@ -105,23 +100,18 @@ CayleyFermion5D<Impl>::M5Ddag(const FermionField &psi_i,
   int Ls=this->Ls;
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  M5Dcalls++;
+  uint64_t nloop = grid->oSites();
-  M5Dtime-=usecond();
-
-  uint64_t nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
-    uint64_t ss=sss*Ls;
+    uint64_t s = sss%Ls;
+    uint64_t ss= sss-s;
     typedef decltype(coalescedRead(psi[0])) spinor;
     spinor tmp1,tmp2;
-    for(int s=0;s<Ls;s++){
     uint64_t idx_u = ss+((s+1)%Ls);
     uint64_t idx_l = ss+((s+Ls-1)%Ls);
     spProj5p(tmp1,psi(idx_u));
     spProj5m(tmp2,psi(idx_l));
     coalescedWrite(chi[ss+s],pdiag[s]*phi(ss+s)+pupper[s]*tmp1+plower[s]*tmp2);
-    }
   });
-  M5Dtime+=usecond();
 }
 
 template<class Impl>
@@ -142,8 +132,6 @@ CayleyFermion5D<Impl>::MooeeInv    (const FermionField &psi_i, FermionField &chi
   auto pleem = & leem[0];
   auto pueem = & ueem[0];
 
-  MooeeInvCalls++;
-  MooeeInvTime-=usecond();
   uint64_t nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -181,8 +169,6 @@ CayleyFermion5D<Impl>::MooeeInv    (const FermionField &psi_i, FermionField &chi
     }
   });
   
-  MooeeInvTime+=usecond();
-  
 }
 
 template<class Impl>
@@ -204,10 +190,6 @@ CayleyFermion5D<Impl>::MooeeInvDag (const FermionField &psi_i, FermionField &chi
 
   assert(psi.Checkerboard() == psi.Checkerboard());
 
-  MooeeInvCalls++;
-  MooeeInvTime-=usecond();
-
-
   uint64_t nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -244,7 +226,6 @@ CayleyFermion5D<Impl>::MooeeInvDag (const FermionField &psi_i, FermionField &chi
       coalescedWrite(chi[ss+s],res);
     }
   });
-  MooeeInvTime+=usecond();
 
 }
 

Grid/qcd/action/fermion/implementation/CayleyFermion5Dvec.h

@@ -94,10 +94,6 @@ CayleyFermion5D<Impl>::M5D(const FermionField &psi_i,
       d_p[ss] = diag[s];
     }}
 
-
-  M5Dcalls++;
-  M5Dtime-=usecond();
-
   assert(Nc==3);
 
   thread_loop( (int ss=0;ss<grid->oSites();ss+=LLs),{ // adds LLs
@@ -198,7 +194,6 @@ CayleyFermion5D<Impl>::M5D(const FermionField &psi_i,
     }
 #endif
   });
-  M5Dtime+=usecond();
 }
 
 template<class Impl>  
@@ -242,8 +237,6 @@ CayleyFermion5D<Impl>::M5Ddag(const FermionField &psi_i,
       d_p[ss] = diag[s];
     }}
 
-  M5Dcalls++;
-  M5Dtime-=usecond();
   thread_loop( (int ss=0;ss<grid->oSites();ss+=LLs),{ // adds LLs
 #if 0
     alignas(64) SiteHalfSpinor hp;
@@ -339,7 +332,6 @@ CayleyFermion5D<Impl>::M5Ddag(const FermionField &psi_i,
     }
 #endif
   });
-  M5Dtime+=usecond();
 }
 
 
@@ -813,9 +805,6 @@ CayleyFermion5D<Impl>::MooeeInternal(const FermionField &psi, FermionField &chi,
   }
   assert(_Matp->size()==Ls*LLs);
 
-  MooeeInvCalls++;
-  MooeeInvTime-=usecond();
-
   if ( switcheroo<Coeff_t>::iscomplex() ) {
     thread_loop( (auto site=0;site<vol;site++),{
       MooeeInternalZAsm(psi,chi,LLs,site,*_Matp,*_Matm);
@@ -825,7 +814,7 @@ CayleyFermion5D<Impl>::MooeeInternal(const FermionField &psi, FermionField &chi,
       MooeeInternalAsm(psi,chi,LLs,site,*_Matp,*_Matm);
     });
   }
-  MooeeInvTime+=usecond();
+
 }
 
 NAMESPACE_END(Grid);

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

@@ -54,8 +54,6 @@ void DomainWallEOFAFermion<Impl>::M5D(const FermionField& psi_i, const FermionFi
   auto pupper = &upper[0];
   auto plower = &lower[0];
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
   
   auto nloop=grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
@@ -71,7 +69,6 @@ void DomainWallEOFAFermion<Impl>::M5D(const FermionField& psi_i, const FermionFi
     }
   });
 
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -91,8 +88,6 @@ void DomainWallEOFAFermion<Impl>::M5Ddag(const FermionField& psi_i, const Fermio
   auto plower = &lower[0];
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
 
   auto nloop=grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
@@ -108,7 +103,6 @@ void DomainWallEOFAFermion<Impl>::M5Ddag(const FermionField& psi_i, const Fermio
     }
   });
 
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -127,8 +121,6 @@ void DomainWallEOFAFermion<Impl>::MooeeInv(const FermionField& psi_i, FermionFie
   auto pleem = & this->leem[0];
   auto pueem = & this->ueem[0];
 
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
   uint64_t nloop=grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -164,7 +156,6 @@ void DomainWallEOFAFermion<Impl>::MooeeInv(const FermionField& psi_i, FermionFie
       coalescedWrite(chi[ss+s],res);
     }
   });
-  this->MooeeInvTime += usecond();
 }
 
 template<class Impl>
@@ -185,8 +176,6 @@ void DomainWallEOFAFermion<Impl>::MooeeInvDag(const FermionField& psi_i, Fermion
 
   assert(psi.Checkerboard() == psi.Checkerboard());
 
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
   auto nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -223,7 +212,6 @@ void DomainWallEOFAFermion<Impl>::MooeeInvDag(const FermionField& psi_i, Fermion
     }
   });
 
-  this->MooeeInvTime += usecond();
 }
 
 NAMESPACE_END(Grid);

Grid/qcd/action/fermion/implementation/ImprovedStaggeredFermion5DImplementation.h

@@ -298,45 +298,33 @@ void ImprovedStaggeredFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl &
   int LLs = in.Grid()->_rdimensions[0];
   int len =  U.Grid()->oSites();
 
-  DhopFaceTime-=usecond();
   st.Prepare();
   st.HaloGather(in,compressor);
-  DhopFaceTime+=usecond();
 
-  DhopCommTime -=usecond();
   std::vector<std::vector<CommsRequest_t> > requests;
   st.CommunicateBegin(requests);
 
   //  st.HaloExchangeOptGather(in,compressor); // Wilson compressor
-  DhopFaceTime-=usecond();
   st.CommsMergeSHM(compressor);// Could do this inside parallel region overlapped with comms
-  DhopFaceTime+=usecond();
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   // Remove explicit thread mapping introduced for OPA reasons.
   //////////////////////////////////////////////////////////////////////////////////////////////////////
-  DhopComputeTime-=usecond();
   {
     int interior=1;
     int exterior=0;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime+=usecond();
 
-  DhopFaceTime-=usecond();
   st.CommsMerge(compressor);
-  DhopFaceTime+=usecond();
 
   st.CommunicateComplete(requests);
-  DhopCommTime +=usecond();
 
-  DhopComputeTime2-=usecond();
   {
     int interior=0;
     int exterior=1;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime2+=usecond();
 }
 
 template<class Impl>
@@ -347,22 +335,14 @@ void ImprovedStaggeredFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st,
   Compressor compressor;
   int LLs = in.Grid()->_rdimensions[0];
 
- //double t1=usecond();
-  DhopTotalTime -= usecond();
-  DhopCommTime -= usecond();
   st.HaloExchange(in,compressor);
-  DhopCommTime += usecond();
   
-  DhopComputeTime -= usecond();
   // Dhop takes the 4d grid from U, and makes a 5d index for fermion
   {
     int interior=1;
     int exterior=1;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime += usecond();
-  DhopTotalTime   += usecond();
-
 }
 /*CHANGE END*/
 
@@ -371,7 +351,6 @@ void ImprovedStaggeredFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st,
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::DhopOE(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls+=1;
   conformable(in.Grid(),FermionRedBlackGrid());    // verifies half grid
   conformable(in.Grid(),out.Grid()); // drops the cb check
 
@@ -383,7 +362,6 @@ void ImprovedStaggeredFermion5D<Impl>::DhopOE(const FermionField &in, FermionFie
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::DhopEO(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls+=1;
   conformable(in.Grid(),FermionRedBlackGrid());    // verifies half grid
   conformable(in.Grid(),out.Grid()); // drops the cb check
 
@@ -395,7 +373,6 @@ void ImprovedStaggeredFermion5D<Impl>::DhopEO(const FermionField &in, FermionFie
 template<class Impl>
 void ImprovedStaggeredFermion5D<Impl>::Dhop(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls+=2;
   conformable(in.Grid(),FermionGrid()); // verifies full grid
   conformable(in.Grid(),out.Grid());
 
@@ -404,58 +381,6 @@ void ImprovedStaggeredFermion5D<Impl>::Dhop(const FermionField &in, FermionField
   DhopInternal(Stencil,Lebesgue,Umu,UUUmu,in,out,dag);
 }
 
-template<class Impl>
-void ImprovedStaggeredFermion5D<Impl>::Report(void) 
-{
-  Coordinate latt = GridDefaultLatt();          
-  RealD volume = Ls;  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-  RealD NP = _FourDimGrid->_Nprocessors;
-  RealD NN = _FourDimGrid->NodeCount();
-
-  std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
-
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D Number of DhopEO Calls   : " 
-	    << DhopCalls   << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D TotalTime   /Calls       : " 
-	    << DhopTotalTime   / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D CommTime    /Calls       : " 
-	    << DhopCommTime    / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D ComputeTime/Calls        : " 
-	    << DhopComputeTime / DhopCalls << " us" << std::endl;
-
-  // Average the compute time
-  _FourDimGrid->GlobalSum(DhopComputeTime);
-  DhopComputeTime/=NP;
-
-  RealD mflops = 1154*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
-  
-  RealD Fullmflops = 1154*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
-
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D Stencil"    <<std::endl;  Stencil.Report();
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D StencilEven"<<std::endl;  StencilEven.Report();
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion5D StencilOdd" <<std::endl;  StencilOdd.Report();
-}
-template<class Impl>
-void ImprovedStaggeredFermion5D<Impl>::ZeroCounters(void) 
-{
-  DhopCalls       = 0;
-  DhopTotalTime    = 0;
-  DhopCommTime    = 0;
-  DhopComputeTime = 0;
-  DhopFaceTime    = 0;
-
-
-  Stencil.ZeroCounters();
-  StencilEven.ZeroCounters();
-  StencilOdd.ZeroCounters();
-}
-
 /////////////////////////////////////////////////////////////////////////
 // Implement the general interface. Here we use SAME mass on all slices
 /////////////////////////////////////////////////////////////////////////

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

@@ -334,7 +334,6 @@ void ImprovedStaggeredFermion<Impl>::DhopDerivEO(GaugeField &mat, const FermionF
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=2;
   conformable(in.Grid(), _grid);  // verifies full grid
   conformable(in.Grid(), out.Grid());
 
@@ -346,7 +345,6 @@ void ImprovedStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=1;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -359,7 +357,6 @@ void ImprovedStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField
 template <class Impl>
 void ImprovedStaggeredFermion<Impl>::DhopEO(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=1;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -418,47 +415,33 @@ void ImprovedStaggeredFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st
   Compressor compressor; 
   int len =  U.Grid()->oSites();
 
-  DhopTotalTime   -= usecond();
-
-  DhopFaceTime    -= usecond();
   st.Prepare();
   st.HaloGather(in,compressor);
-  DhopFaceTime    += usecond();
 
-  DhopCommTime -=usecond();
   std::vector<std::vector<CommsRequest_t> > requests;
   st.CommunicateBegin(requests);
 
-  DhopFaceTime-=usecond();
   st.CommsMergeSHM(compressor);
-  DhopFaceTime+= usecond();
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   // Removed explicit thread comms
   //////////////////////////////////////////////////////////////////////////////////////////////////////
-  DhopComputeTime    -= usecond();
   {
     int interior=1;
     int exterior=0;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime    += usecond();
 
   st.CommunicateComplete(requests);
-  DhopCommTime +=usecond();
 
   // First to enter, last to leave timing
-  DhopFaceTime    -= usecond();
   st.CommsMerge(compressor);
-  DhopFaceTime    -= usecond();
 
-  DhopComputeTime2    -= usecond();
   {
     int interior=0;
     int exterior=1;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime2    += usecond();
 }
 
 
@@ -471,78 +454,16 @@ void ImprovedStaggeredFermion<Impl>::DhopInternalSerialComms(StencilImpl &st, Le
 {
   assert((dag == DaggerNo) || (dag == DaggerYes));
 
-  DhopTotalTime   -= usecond();
-
-  DhopCommTime    -= usecond();
   Compressor compressor;
   st.HaloExchange(in, compressor);
-  DhopCommTime    += usecond();
 
-  DhopComputeTime -= usecond();
   {
     int interior=1;
     int exterior=1;
     Kernels::DhopImproved(st,lo,U,UUU,in,out,dag,interior,exterior);
   }
-  DhopComputeTime += usecond();
-  DhopTotalTime   += usecond();
 };
 
-  ////////////////////////////////////////////////////////////////
-  // Reporting
-  ////////////////////////////////////////////////////////////////
-template<class Impl>
-void ImprovedStaggeredFermion<Impl>::Report(void) 
-{
-  Coordinate latt = _grid->GlobalDimensions();
-  RealD volume = 1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-  RealD NP = _grid->_Nprocessors;
-  RealD NN = _grid->NodeCount();
-
-  std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
-
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion Number of DhopEO Calls   : " 
-	    << DhopCalls   << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion TotalTime   /Calls       : " 
-	    << DhopTotalTime   / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion CommTime    /Calls       : " 
-	    << DhopCommTime    / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion ComputeTime/Calls        : " 
-	    << DhopComputeTime / DhopCalls << " us" << std::endl;
-
-  // Average the compute time
-  _grid->GlobalSum(DhopComputeTime);
-  DhopComputeTime/=NP;
-
-  RealD mflops = 1154*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
-  
-  RealD Fullmflops = 1154*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
-
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion Stencil"    <<std::endl;  Stencil.Report();
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion StencilEven"<<std::endl;  StencilEven.Report();
-  std::cout << GridLogMessage << "ImprovedStaggeredFermion StencilOdd" <<std::endl;  StencilOdd.Report();
-}
-template<class Impl>
-void ImprovedStaggeredFermion<Impl>::ZeroCounters(void) 
-{
-  DhopCalls       = 0;
-  DhopTotalTime   = 0;
-  DhopCommTime    = 0;
-  DhopComputeTime = 0;
-  DhopFaceTime    = 0;
-
-  Stencil.ZeroCounters();
-  StencilEven.ZeroCounters();
-  StencilOdd.ZeroCounters();
-}
-
-
 //////////////////////////////////////////////////////// 
 // Conserved current - not yet implemented.
 ////////////////////////////////////////////////////////

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

@@ -55,9 +55,6 @@ void MobiusEOFAFermion<Impl>::M5D(const FermionField &psi_i, const FermionField
   auto plower = &lower[0];
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss = sss*Ls;
@@ -73,7 +70,6 @@ void MobiusEOFAFermion<Impl>::M5D(const FermionField &psi_i, const FermionField
     }
   });
 
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -99,9 +95,6 @@ void MobiusEOFAFermion<Impl>::M5D_shift(const FermionField &psi_i, const Fermion
   auto pshift_coeffs = &shift_coeffs[0];
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss = sss*Ls;
@@ -122,7 +115,6 @@ void MobiusEOFAFermion<Impl>::M5D_shift(const FermionField &psi_i, const Fermion
     }
   });
 
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -143,9 +135,6 @@ void MobiusEOFAFermion<Impl>::M5Ddag(const FermionField &psi_i, const FermionFie
   auto plower = &lower[0];
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(), {
     uint64_t ss = sss*Ls;
@@ -161,8 +150,6 @@ void MobiusEOFAFermion<Impl>::M5Ddag(const FermionField &psi_i, const FermionFie
       coalescedWrite(chi[ss+s], pdiag[s]*phi(ss+s) + pupper[s]*tmp1 + plower[s]*tmp2);
     }
   });
-
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -186,9 +173,6 @@ void MobiusEOFAFermion<Impl>::M5Ddag_shift(const FermionField &psi_i, const Ferm
   auto pshift_coeffs = &shift_coeffs[0];
 
   // Flops = 6.0*(Nc*Ns) *Ls*vol
-  this->M5Dcalls++;
-  this->M5Dtime -= usecond();
-
   auto pm = this->pm;
 
   int nloop = grid->oSites()/Ls;
@@ -217,7 +201,6 @@ void MobiusEOFAFermion<Impl>::M5Ddag_shift(const FermionField &psi_i, const Ferm
     }
   });
 
-  this->M5Dtime += usecond();
 }
 
 template<class Impl>
@@ -237,9 +220,6 @@ void MobiusEOFAFermion<Impl>::MooeeInv(const FermionField &psi_i, FermionField &
 
   if(this->shift != 0.0){ MooeeInv_shift(psi_i,chi_i); return; }
 
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -277,7 +257,6 @@ void MobiusEOFAFermion<Impl>::MooeeInv(const FermionField &psi_i, FermionField &
     }
   });
    
-  this->MooeeInvTime += usecond();
 }
 
 template<class Impl>
@@ -297,8 +276,6 @@ void MobiusEOFAFermion<Impl>::MooeeInv_shift(const FermionField &psi_i, FermionF
   auto pueem= & this->ueem[0];
   auto pMooeeInv_shift_lc   = &MooeeInv_shift_lc[0];
   auto pMooeeInv_shift_norm = &MooeeInv_shift_norm[0];
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
 
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
@@ -343,7 +320,6 @@ void MobiusEOFAFermion<Impl>::MooeeInv_shift(const FermionField &psi_i, FermionF
       }
   });
 
-  this->MooeeInvTime += usecond();
 }
 
 template<class Impl>
@@ -363,9 +339,6 @@ void MobiusEOFAFermion<Impl>::MooeeInvDag(const FermionField &psi_i, FermionFiel
   auto pleem= & this->leem[0];
   auto pueem= & this->ueem[0];
 
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
     uint64_t ss=sss*Ls;
@@ -402,7 +375,6 @@ void MobiusEOFAFermion<Impl>::MooeeInvDag(const FermionField &psi_i, FermionFiel
       coalescedWrite(chi[ss+s],res);
     }
   });
-  this->MooeeInvTime += usecond();
 }
 
 template<class Impl>
@@ -423,9 +395,6 @@ void MobiusEOFAFermion<Impl>::MooeeInvDag_shift(const FermionField &psi_i, Fermi
   auto pMooeeInvDag_shift_lc   = &MooeeInvDag_shift_lc[0];
   auto pMooeeInvDag_shift_norm = &MooeeInvDag_shift_norm[0];
 
-  this->MooeeInvCalls++;
-  this->MooeeInvTime -= usecond();
-
   int nloop = grid->oSites()/Ls;
   accelerator_for(sss,nloop,Simd::Nsimd(),{
       uint64_t ss=sss*Ls;
@@ -469,7 +438,6 @@ void MobiusEOFAFermion<Impl>::MooeeInvDag_shift(const FermionField &psi_i, Fermi
       }
   });
 
-  this->MooeeInvTime += usecond();
 }
 
 NAMESPACE_END(Grid);

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

@@ -263,7 +263,6 @@ void NaiveStaggeredFermion<Impl>::DhopDerivEO(GaugeField &mat, const FermionFiel
 template <class Impl>
 void NaiveStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=2;
   conformable(in.Grid(), _grid);  // verifies full grid
   conformable(in.Grid(), out.Grid());
 
@@ -275,7 +274,6 @@ void NaiveStaggeredFermion<Impl>::Dhop(const FermionField &in, FermionField &out
 template <class Impl>
 void NaiveStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=1;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -288,7 +286,6 @@ void NaiveStaggeredFermion<Impl>::DhopOE(const FermionField &in, FermionField &o
 template <class Impl>
 void NaiveStaggeredFermion<Impl>::DhopEO(const FermionField &in, FermionField &out, int dag) 
 {
-  DhopCalls+=1;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -345,47 +342,33 @@ void NaiveStaggeredFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, L
   Compressor compressor; 
   int len =  U.Grid()->oSites();
 
-  DhopTotalTime   -= usecond();
-
-  DhopFaceTime    -= usecond();
   st.Prepare();
   st.HaloGather(in,compressor);
-  DhopFaceTime    += usecond();
 
-  DhopCommTime -=usecond();
   std::vector<std::vector<CommsRequest_t> > requests;
   st.CommunicateBegin(requests);
 
-  DhopFaceTime-=usecond();
   st.CommsMergeSHM(compressor);
-  DhopFaceTime+= usecond();
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   // Removed explicit thread comms
   //////////////////////////////////////////////////////////////////////////////////////////////////////
-  DhopComputeTime    -= usecond();
   {
     int interior=1;
     int exterior=0;
     Kernels::DhopNaive(st,lo,U,in,out,dag,interior,exterior);
   }
-  DhopComputeTime    += usecond();
 
   st.CommunicateComplete(requests);
-  DhopCommTime +=usecond();
 
   // First to enter, last to leave timing
-  DhopFaceTime    -= usecond();
   st.CommsMerge(compressor);
-  DhopFaceTime    -= usecond();
 
-  DhopComputeTime2    -= usecond();
   {
     int interior=0;
     int exterior=1;
     Kernels::DhopNaive(st,lo,U,in,out,dag,interior,exterior);
   }
-  DhopComputeTime2    += usecond();
 }
 
 template <class Impl>
@@ -396,78 +379,16 @@ void NaiveStaggeredFermion<Impl>::DhopInternalSerialComms(StencilImpl &st, Lebes
 {
   assert((dag == DaggerNo) || (dag == DaggerYes));
 
-  DhopTotalTime   -= usecond();
-
-  DhopCommTime    -= usecond();
   Compressor compressor;
   st.HaloExchange(in, compressor);
-  DhopCommTime    += usecond();
 
-  DhopComputeTime -= usecond();
   {
     int interior=1;
     int exterior=1;
     Kernels::DhopNaive(st,lo,U,in,out,dag,interior,exterior);
   }
-  DhopComputeTime += usecond();
-  DhopTotalTime   += usecond();
 };
 
-  ////////////////////////////////////////////////////////////////
-  // Reporting
-  ////////////////////////////////////////////////////////////////
-template<class Impl>
-void NaiveStaggeredFermion<Impl>::Report(void) 
-{
-  Coordinate latt = _grid->GlobalDimensions();
-  RealD volume = 1;  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-  RealD NP = _grid->_Nprocessors;
-  RealD NN = _grid->NodeCount();
-
-  std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
-
-  std::cout << GridLogMessage << "NaiveStaggeredFermion Number of DhopEO Calls   : " 
-	    << DhopCalls   << std::endl;
-  std::cout << GridLogMessage << "NaiveStaggeredFermion TotalTime   /Calls       : " 
-	    << DhopTotalTime   / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "NaiveStaggeredFermion CommTime    /Calls       : " 
-	    << DhopCommTime    / DhopCalls << " us" << std::endl;
-  std::cout << GridLogMessage << "NaiveStaggeredFermion ComputeTime/Calls        : " 
-	    << DhopComputeTime / DhopCalls << " us" << std::endl;
-
-  // Average the compute time
-  _grid->GlobalSum(DhopComputeTime);
-  DhopComputeTime/=NP;
-
-  RealD mflops = 1154*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
-  
-  RealD Fullmflops = 1154*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
-  std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
-  std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
-
-  std::cout << GridLogMessage << "NaiveStaggeredFermion Stencil"    <<std::endl;  Stencil.Report();
-  std::cout << GridLogMessage << "NaiveStaggeredFermion StencilEven"<<std::endl;  StencilEven.Report();
-  std::cout << GridLogMessage << "NaiveStaggeredFermion StencilOdd" <<std::endl;  StencilOdd.Report();
-}
-template<class Impl>
-void NaiveStaggeredFermion<Impl>::ZeroCounters(void) 
-{
-  DhopCalls       = 0;
-  DhopTotalTime   = 0;
-  DhopCommTime    = 0;
-  DhopComputeTime = 0;
-  DhopFaceTime    = 0;
-
-  Stencil.ZeroCounters();
-  StencilEven.ZeroCounters();
-  StencilOdd.ZeroCounters();
-}
-
-
 //////////////////////////////////////////////////////// 
 // Conserved current - not yet implemented.
 ////////////////////////////////////////////////////////

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

@@ -60,8 +60,13 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   UmuOdd (_FourDimRedBlackGrid),
   Lebesgue(_FourDimGrid),
   LebesgueEvenOdd(_FourDimRedBlackGrid),
-  _tmp(&FiveDimRedBlackGrid)
+  _tmp(&FiveDimRedBlackGrid),
+  Dirichlet(0)
 {
+  Stencil.lo     = &Lebesgue;
+  StencilEven.lo = &LebesgueEvenOdd;
+  StencilOdd.lo  = &LebesgueEvenOdd;
+  
   // some assertions
   assert(FiveDimGrid._ndimension==5);
   assert(FourDimGrid._ndimension==4);
@@ -91,6 +96,19 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
     assert(FourDimRedBlackGrid._simd_layout[d]  ==FourDimGrid._simd_layout[d]);
   }
 
+  if ( p.dirichlet.size() == Nd+1) {
+    Coordinate block = p.dirichlet;
+    if ( block[0] || block[1] || block[2] || block[3] || block[4] ){
+      Dirichlet = 1;
+      std::cout << GridLogMessage << " WilsonFermion: non-trivial Dirichlet condition "<< block << std::endl;
+      std::cout << GridLogMessage << " WilsonFermion: partial Dirichlet "<< p.partialDirichlet << std::endl;
+      Block = block;
+    }
+  } else {
+    Coordinate block(Nd+1,0);
+    Block = block;
+  }
+
   if (Impl::LsVectorised) { 
 
     int nsimd = Simd::Nsimd();
@@ -125,99 +143,38 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   StencilEven.BuildSurfaceList(LLs,vol4);
    StencilOdd.BuildSurfaceList(LLs,vol4);
 
-   //  std::cout << GridLogMessage << " SurfaceLists "<< Stencil.surface_list.size()
-   //                       <<" " << StencilEven.surface_list.size()<<std::endl;
-
 }
 
-template<class Impl>
-void WilsonFermion5D<Impl>::Report(void)
-{
-  RealD NP     = _FourDimGrid->_Nprocessors;
-  RealD NN     = _FourDimGrid->NodeCount();
-  RealD volume = Ls;  
-  Coordinate latt = _FourDimGrid->GlobalDimensions();
-  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-
-  if ( DhopCalls > 0 ) {
-    std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D Number of DhopEO Calls   : " << DhopCalls   << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D TotalTime   /Calls        : " << DhopTotalTime   / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D CommTime    /Calls        : " << DhopCommTime    / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D FaceTime    /Calls        : " << DhopFaceTime    / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D ComputeTime1/Calls        : " << DhopComputeTime / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D ComputeTime2/Calls        : " << DhopComputeTime2/ DhopCalls << " us" << std::endl;
-
-    // Average the compute time
-    _FourDimGrid->GlobalSum(DhopComputeTime);
-    DhopComputeTime/=NP;
-    RealD mflops = 1344*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
-
-    RealD Fullmflops = 1344*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
-
-   }
-
-  if ( DerivCalls > 0 ) {
-    std::cout << GridLogMessage << "#### Deriv calls report "<< std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D Number of Deriv Calls    : " <<DerivCalls <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D CommTime/Calls           : " <<DerivCommTime/DerivCalls<<" us" <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D ComputeTime/Calls        : " <<DerivComputeTime/DerivCalls<<" us" <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion5D Dhop ComputeTime/Calls   : " <<DerivDhopComputeTime/DerivCalls<<" us" <<std::endl;
-    
-    RealD mflops = 144*volume*DerivCalls/DerivDhopComputeTime;
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NP << std::endl;
-
-    RealD Fullmflops = 144*volume*DerivCalls/(DerivDhopComputeTime+DerivCommTime)/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NP << std::endl;  }
-
-  if (DerivCalls > 0 || DhopCalls > 0){
-    std::cout << GridLogMessage << "WilsonFermion5D Stencil"    <<std::endl;  Stencil.Report();
-    std::cout << GridLogMessage << "WilsonFermion5D StencilEven"<<std::endl;  StencilEven.Report();
-    std::cout << GridLogMessage << "WilsonFermion5D StencilOdd" <<std::endl;  StencilOdd.Report();
-  }
-  if ( DhopCalls > 0){
-    std::cout << GridLogMessage << "WilsonFermion5D Stencil     Reporti()"    <<std::endl;  Stencil.Reporti(DhopCalls);
-    std::cout << GridLogMessage << "WilsonFermion5D StencilEven Reporti()"<<std::endl;  StencilEven.Reporti(DhopCalls);
-    std::cout << GridLogMessage << "WilsonFermion5D StencilOdd  Reporti()" <<std::endl;  StencilOdd.Reporti(DhopCalls);
-  }
-}
-
-template<class Impl>
-void WilsonFermion5D<Impl>::ZeroCounters(void) {
-  DhopCalls       = 0;
-  DhopCommTime    = 0;
-  DhopComputeTime = 0;
-  DhopComputeTime2= 0;
-  DhopFaceTime    = 0;
-  DhopTotalTime   = 0;
-
-  DerivCalls       = 0;
-  DerivCommTime    = 0;
-  DerivComputeTime = 0;
-  DerivDhopComputeTime = 0;
-
-  Stencil.ZeroCounters();
-  StencilEven.ZeroCounters();
-  StencilOdd.ZeroCounters();
-  Stencil.ZeroCountersi();
-  StencilEven.ZeroCountersi();
-  StencilOdd.ZeroCountersi();
-}
-
-
 template<class Impl>
 void WilsonFermion5D<Impl>::ImportGauge(const GaugeField &_Umu)
 {
   GaugeField HUmu(_Umu.Grid());
   HUmu = _Umu*(-0.5);
+  if ( Dirichlet ) {
+
+    if ( this->Params.partialDirichlet ) {
+      std::cout << GridLogMessage << " partialDirichlet BCs " <<Block<<std::endl;
+    } else {
+      std::cout << GridLogMessage << " FULL Dirichlet BCs " <<Block<<std::endl;
+    }
+    
+    std:: cout << GridLogMessage << "Checking block size multiple of rank boundaries for Dirichlet"<<std::endl;
+    for(int d=0;d<Nd;d++) {
+      int GaugeBlock = Block[d+1];
+      int ldim=GaugeGrid()->LocalDimensions()[d];
+      if (GaugeBlock) assert( (GaugeBlock%ldim)==0);
+    }
+
+    if (!this->Params.partialDirichlet) {
+      std::cout << GridLogMessage << " Dirichlet filtering gauge field BCs block " <<Block<<std::endl;
+      Coordinate GaugeBlock(Nd);
+      for(int d=0;d<Nd;d++) GaugeBlock[d] = Block[d+1];
+      DirichletFilter<GaugeField> Filter(GaugeBlock);
+      Filter.applyFilter(HUmu);
+    } else {
+      std::cout << GridLogMessage << " Dirichlet "<< Dirichlet << " NOT filtered gauge field" <<std::endl;
+    }
+  }
   Impl::DoubleStore(GaugeGrid(),Umu,HUmu);
   pickCheckerboard(Even,UmuEven,Umu);
   pickCheckerboard(Odd ,UmuOdd,Umu);
@@ -259,7 +216,6 @@ void WilsonFermion5D<Impl>::DerivInternal(StencilImpl & st,
 					  const FermionField &B,
 					  int dag)
 {
-  DerivCalls++;
   assert((dag==DaggerNo) ||(dag==DaggerYes));
 
   conformable(st.Grid(),A.Grid());
@@ -270,15 +226,12 @@ void WilsonFermion5D<Impl>::DerivInternal(StencilImpl & st,
   FermionField Btilde(B.Grid());
   FermionField Atilde(B.Grid());
 
-  DerivCommTime-=usecond();
   st.HaloExchange(B,compressor);
-  DerivCommTime+=usecond();
 
   Atilde=A;
   int LLs = B.Grid()->_rdimensions[0];
 
 
-  DerivComputeTime-=usecond();
   for (int mu = 0; mu < Nd; mu++) {
     ////////////////////////////////////////////////////////////////////////
     // Flip gamma if dag
@@ -290,8 +243,6 @@ void WilsonFermion5D<Impl>::DerivInternal(StencilImpl & st,
     // Call the single hop
     ////////////////////////
 
-    DerivDhopComputeTime -= usecond();
-
     int Usites = U.Grid()->oSites();
 
     Kernels::DhopDirKernel(st, U, st.CommBuf(), Ls, Usites, B, Btilde, mu,gamma);
@@ -299,10 +250,8 @@ void WilsonFermion5D<Impl>::DerivInternal(StencilImpl & st,
     ////////////////////////////
     // spin trace outer product
     ////////////////////////////
-    DerivDhopComputeTime += usecond();
     Impl::InsertForce5D(mat, Btilde, Atilde, mu);
   }
-  DerivComputeTime += usecond();
 }
 
 template<class Impl>
@@ -360,12 +309,10 @@ void WilsonFermion5D<Impl>::DhopInternal(StencilImpl & st, LebesgueOrder &lo,
                                          DoubledGaugeField & U,
                                          const FermionField &in, FermionField &out,int dag)
 {
-  DhopTotalTime-=usecond();
   if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
   else 
     DhopInternalSerialComms(st,lo,U,in,out,dag);
-  DhopTotalTime+=usecond();
 }
 
 
@@ -374,6 +321,7 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
 							DoubledGaugeField & U,
 							const FermionField &in, FermionField &out,int dag)
 {
+  GRID_TRACE("DhopInternalOverlappedComms");
   Compressor compressor(dag);
 
   int LLs = in.Grid()->_rdimensions[0];
@@ -382,53 +330,58 @@ void WilsonFermion5D<Impl>::DhopInternalOverlappedComms(StencilImpl & st, Lebesg
   /////////////////////////////
   // Start comms  // Gather intranode and extra node differentiated??
   /////////////////////////////
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("Gather");
     st.HaloExchangeOptGather(in,compressor);
-  DhopFaceTime+=usecond();
+    accelerator_barrier();
+  }
   
-  DhopCommTime -=usecond();
   std::vector<std::vector<CommsRequest_t> > requests;
+  auto id=traceStart("Communicate overlapped");
   st.CommunicateBegin(requests);
 
   /////////////////////////////
   // Overlap with comms
   /////////////////////////////
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("MergeSHM");
     st.CommsMergeSHM(compressor);// Could do this inside parallel region overlapped with comms
-  DhopFaceTime+=usecond();
+  }
       
   /////////////////////////////
   // do the compute interior
   /////////////////////////////
   int Opt = WilsonKernelsStatic::Opt; // Why pass this. Kernels should know
-  DhopComputeTime-=usecond();
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDagInterior");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
   } else {
+    GRID_TRACE("DhopInterior");
     Kernels::DhopKernel   (Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,1,0);
   }
-  DhopComputeTime+=usecond();
 
   /////////////////////////////
   // Complete comms
   /////////////////////////////
   st.CommunicateComplete(requests);
-  DhopCommTime   +=usecond();
+  traceStop(id);
 
   /////////////////////////////
   // do the compute exterior
   /////////////////////////////
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("Merge");
     st.CommsMerge(compressor);
-  DhopFaceTime+=usecond();
+  }
+  
 
-  DhopComputeTime2-=usecond();
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDagExterior");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,0,1);
   } else {
+    GRID_TRACE("DhopExterior");
     Kernels::DhopKernel   (Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out,0,1);
   }
-  DhopComputeTime2+=usecond();
 }
 
 
@@ -438,29 +391,30 @@ void WilsonFermion5D<Impl>::DhopInternalSerialComms(StencilImpl & st, LebesgueOr
 						    const FermionField &in, 
 						    FermionField &out,int dag)
 {
+  GRID_TRACE("DhopInternalSerialComms");
   Compressor compressor(dag);
 
   int LLs = in.Grid()->_rdimensions[0];
 
-  DhopCommTime-=usecond();
+  {
+    GRID_TRACE("HaloExchange");
     st.HaloExchangeOpt(in,compressor);
-  DhopCommTime+=usecond();
+  }
   
-  DhopComputeTime-=usecond();
   int Opt = WilsonKernelsStatic::Opt;
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDag");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out);
   } else {
+    GRID_TRACE("Dhop");
     Kernels::DhopKernel(Opt,st,U,st.CommBuf(),LLs,U.oSites(),in,out);
   }
-  DhopComputeTime+=usecond();
 }
 
 
 template<class Impl>
 void WilsonFermion5D<Impl>::DhopOE(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls++;
   conformable(in.Grid(),FermionRedBlackGrid());    // verifies half grid
   conformable(in.Grid(),out.Grid()); // drops the cb check
 
@@ -472,7 +426,6 @@ void WilsonFermion5D<Impl>::DhopOE(const FermionField &in, FermionField &out,int
 template<class Impl>
 void WilsonFermion5D<Impl>::DhopEO(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls++;
   conformable(in.Grid(),FermionRedBlackGrid());    // verifies half grid
   conformable(in.Grid(),out.Grid()); // drops the cb check
 
@@ -484,7 +437,6 @@ void WilsonFermion5D<Impl>::DhopEO(const FermionField &in, FermionField &out,int
 template<class Impl>
 void WilsonFermion5D<Impl>::Dhop(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls+=2;
   conformable(in.Grid(),FermionGrid()); // verifies full grid
   conformable(in.Grid(),out.Grid());
 
@@ -539,12 +491,17 @@ void WilsonFermion5D<Impl>::MomentumSpacePropagatorHt_5d(FermionField &out,const
   LatComplex    sk(_grid);  sk = Zero();
   LatComplex    sk2(_grid); sk2= Zero();
   LatComplex    W(_grid); W= Zero();
-  LatComplex    a(_grid); a= Zero();
   LatComplex    one  (_grid); one = ScalComplex(1.0,0.0);
   LatComplex 	cosha(_grid);
   LatComplex 	kmu(_grid);
   LatComplex 	Wea(_grid);
   LatComplex 	Wema(_grid);
+  LatComplex 	ea(_grid);
+  LatComplex 	ema(_grid);
+  LatComplex 	eaLs(_grid);
+  LatComplex 	emaLs(_grid);
+  LatComplex 	ea2Ls(_grid);
+  LatComplex 	ema2Ls(_grid);
   LatComplex 	sinha(_grid);
   LatComplex 	sinhaLs(_grid);
   LatComplex 	coshaLs(_grid);
@@ -579,39 +536,29 @@ void WilsonFermion5D<Impl>::MomentumSpacePropagatorHt_5d(FermionField &out,const
   ////////////////////////////////////////////
   cosha = (one + W*W + sk) / (abs(W)*2.0);
 
-  // FIXME Need a Lattice acosh
+  ea = (cosha + sqrt(cosha*cosha-one));
+  ema= (cosha - sqrt(cosha*cosha-one));
+  eaLs = pow(ea,Ls);
+  emaLs= pow(ema,Ls);
+  ea2Ls = pow(ea,2.0*Ls);
+  ema2Ls= pow(ema,2.0*Ls);
+  Wea= abs(W) * ea;
+  Wema= abs(W) * ema;
+  //  a=log(ea);
   
-  {
+  sinha = 0.5*(ea - ema);
-    autoView(cosha_v,cosha,CpuRead);
+  sinhaLs = 0.5*(eaLs-emaLs);
-    autoView(a_v,a,CpuWrite);
+  coshaLs = 0.5*(eaLs+emaLs);
-    for(int idx=0;idx<_grid->lSites();idx++){
-      Coordinate lcoor(Nd);
-      Tcomplex cc;
-      //    RealD sgn;
-      _grid->LocalIndexToLocalCoor(idx,lcoor);
-      peekLocalSite(cc,cosha_v,lcoor);
-      assert((double)real(cc)>=1.0);
-      assert(fabs((double)imag(cc))<=1.0e-15);
-      cc = ScalComplex(::acosh(real(cc)),0.0);
-      pokeLocalSite(cc,a_v,lcoor);
-    }
-  }
-
-  Wea = ( exp( a) * abs(W)  );
-  Wema= ( exp(-a) * abs(W)  );
-  sinha = 0.5*(exp( a) - exp(-a));
-  sinhaLs = 0.5*(exp( a*Ls) - exp(-a*Ls));
-  coshaLs = 0.5*(exp( a*Ls) + exp(-a*Ls));
 
   A = one / (abs(W) * sinha * 2.0) * one / (sinhaLs * 2.0);
-  F = exp( a*Ls) * (one - Wea + (Wema - one) * mass*mass);
+  F = eaLs * (one - Wea + (Wema - one) * mass*mass);
-  F = F + exp(-a*Ls) * (Wema - one + (one - Wea) * mass*mass);
+  F = F + emaLs * (Wema - one + (one - Wea) * mass*mass);
   F = F - abs(W) * sinha * 4.0 * mass;
 
-  Bpp =  (A/F) * (exp(-a*Ls*2.0) - one) * (one - Wema) * (one - mass*mass * one);
+  Bpp =  (A/F) * (ema2Ls - one) * (one - Wema) * (one - mass*mass * one);
-  Bmm =  (A/F) * (one - exp(a*Ls*2.0)) * (one - Wea) * (one - mass*mass * one);
+  Bmm =  (A/F) * (one - ea2Ls)  * (one - Wea) * (one - mass*mass * one);
-  App =  (A/F) * (exp(-a*Ls*2.0) - one) * exp(-a) * (exp(-a) - abs(W)) * (one - mass*mass * one);
+  App =  (A/F) * (ema2Ls - one) * ema * (ema - abs(W)) * (one - mass*mass * one);
-  Amm =  (A/F) * (one - exp(a*Ls*2.0)) * exp(a) * (exp(a) - abs(W)) * (one - mass*mass * one);
+  Amm =  (A/F) * (one - ea2Ls)  * ea  * (ea  - abs(W)) * (one - mass*mass * one);
   ABpm = (A/F) * abs(W) * sinha * 2.0  * (one + mass * coshaLs * 2.0 + mass*mass * one);
 
   //P+ source, P- source
@@ -634,29 +581,29 @@ void WilsonFermion5D<Impl>::MomentumSpacePropagatorHt_5d(FermionField &out,const
       buf1_4d = Zero();
       ExtractSlice(buf1_4d, PRsource, (tt-1), 0);
       //G(s,t)
-      bufR_4d = bufR_4d + A * exp(a*Ls) * exp(-a*f) * signW * buf1_4d + A * exp(-a*Ls) * exp(a*f) * signW * buf1_4d;
+      bufR_4d = bufR_4d + A * eaLs * pow(ema,f) * signW * buf1_4d + A * emaLs * pow(ea,f) * signW * buf1_4d;
       //A++*exp(a(s+t))
-      bufR_4d = bufR_4d + App * exp(a*ss) * exp(a*tt) * signW * buf1_4d ;
+      bufR_4d = bufR_4d + App * pow(ea,ss) * pow(ea,tt) * signW * buf1_4d ;
       //A+-*exp(a(s-t))
-      bufR_4d = bufR_4d + ABpm * exp(a*ss) * exp(-a*tt) * signW * buf1_4d ;
+      bufR_4d = bufR_4d + ABpm * pow(ea,ss) * pow(ema,tt) * signW * buf1_4d ;
       //A-+*exp(a(-s+t))
-      bufR_4d = bufR_4d + ABpm * exp(-a*ss) * exp(a*tt) * signW * buf1_4d ;
+      bufR_4d = bufR_4d + ABpm * pow(ema,ss) * pow(ea,tt) * signW * buf1_4d ;
       //A--*exp(a(-s-t))
-      bufR_4d = bufR_4d + Amm * exp(-a*ss) * exp(-a*tt) * signW * buf1_4d ;
+      bufR_4d = bufR_4d + Amm * pow(ema,ss) * pow(ema,tt) * signW * buf1_4d ;
 
       //GL
       buf2_4d = Zero();
       ExtractSlice(buf2_4d, PLsource, (tt-1), 0);
       //G(s,t)
-      bufL_4d = bufL_4d + A * exp(a*Ls) * exp(-a*f) * signW * buf2_4d + A * exp(-a*Ls) * exp(a*f) * signW * buf2_4d;
+      bufL_4d = bufL_4d + A * eaLs * pow(ema,f) * signW * buf2_4d + A * emaLs * pow(ea,f) * signW * buf2_4d;
       //B++*exp(a(s+t))
-      bufL_4d = bufL_4d + Bpp * exp(a*ss) * exp(a*tt) * signW * buf2_4d ;
+      bufL_4d = bufL_4d + Bpp * pow(ea,ss) * pow(ea,tt) * signW * buf2_4d ;
       //B+-*exp(a(s-t))
-      bufL_4d = bufL_4d + ABpm * exp(a*ss) * exp(-a*tt) * signW * buf2_4d ;
+      bufL_4d = bufL_4d + ABpm * pow(ea,ss) * pow(ema,tt) * signW * buf2_4d ;
       //B-+*exp(a(-s+t))
-      bufL_4d = bufL_4d + ABpm * exp(-a*ss) * exp(a*tt) * signW * buf2_4d ;
+      bufL_4d = bufL_4d + ABpm * pow(ema,ss) * pow(ea,tt) * signW * buf2_4d ;
       //B--*exp(a(-s-t))
-      bufL_4d = bufL_4d + Bmm * exp(-a*ss) * exp(-a*tt) * signW * buf2_4d ;
+      bufL_4d = bufL_4d + Bmm * pow(ema,ss) * pow(ema,tt) * signW * buf2_4d ;
     }
     InsertSlice(bufR_4d, GR, (ss-1), 0);
     InsertSlice(bufL_4d, GL, (ss-1), 0);
@@ -775,28 +722,12 @@ void WilsonFermion5D<Impl>::MomentumSpacePropagatorHt(FermionField &out,const Fe
   W = one - M5 + sk2;
 
   ////////////////////////////////////////////
-  // Cosh alpha -> alpha
+  // Cosh alpha -> exp(+/- alpha)
   ////////////////////////////////////////////
   cosha =  (one + W*W + sk) / (abs(W)*2.0);
 
-  // FIXME Need a Lattice acosh
+  Wea = abs(W)*(cosha + sqrt(cosha*cosha-one));
-  {
+  Wema= abs(W)*(cosha - sqrt(cosha*cosha-one));
-  autoView(cosha_v,cosha,CpuRead);
-  autoView(a_v,a,CpuWrite);
-  for(int idx=0;idx<_grid->lSites();idx++){
-    Coordinate lcoor(Nd);
-    Tcomplex cc;
-    //    RealD sgn;
-    _grid->LocalIndexToLocalCoor(idx,lcoor);
-    peekLocalSite(cc,cosha_v,lcoor);
-    assert((double)real(cc)>=1.0);
-    assert(fabs((double)imag(cc))<=1.0e-15);
-    cc = ScalComplex(::acosh(real(cc)),0.0);
-    pokeLocalSite(cc,a_v,lcoor);
-  }}
-  
-  Wea = ( exp( a) * abs(W)  );
-  Wema= ( exp(-a) * abs(W)  );
   
   num   = num + ( one - Wema ) * mass * in;
   denom= ( Wea - one ) + mass*mass * (one - Wema); 

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

@@ -60,6 +60,9 @@ WilsonFermion<Impl>::WilsonFermion(GaugeField &_Umu, GridCartesian &Fgrid,
       _tmp(&Hgrid),
       anisotropyCoeff(anis)
 {
+  Stencil.lo     = &Lebesgue;
+  StencilEven.lo = &LebesgueEvenOdd;
+  StencilOdd.lo  = &LebesgueEvenOdd;
   // Allocate the required comms buffer
   ImportGauge(_Umu);
   if  (anisotropyCoeff.isAnisotropic){
@@ -76,91 +79,6 @@ WilsonFermion<Impl>::WilsonFermion(GaugeField &_Umu, GridCartesian &Fgrid,
   StencilOdd.BuildSurfaceList(1,vol4);
 }
 
-template<class Impl>
-void WilsonFermion<Impl>::Report(void)
-{
-  RealD NP = _grid->_Nprocessors;
-  RealD NN = _grid->NodeCount();
-  RealD volume = 1;
-  Coordinate latt = _grid->GlobalDimensions();
-  for(int mu=0;mu<Nd;mu++) volume=volume*latt[mu];
-
-  if ( DhopCalls > 0 ) {
-    std::cout << GridLogMessage << "#### Dhop calls report " << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion Number of DhopEO Calls   : " << DhopCalls   << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion TotalTime   /Calls        : " << DhopTotalTime   / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion CommTime    /Calls        : " << DhopCommTime    / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion FaceTime    /Calls        : " << DhopFaceTime    / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion ComputeTime1/Calls        : " << DhopComputeTime / DhopCalls << " us" << std::endl;
-    std::cout << GridLogMessage << "WilsonFermion ComputeTime2/Calls        : " << DhopComputeTime2/ DhopCalls << " us" << std::endl;
-
-    // Average the compute time
-    _grid->GlobalSum(DhopComputeTime);
-    DhopComputeTime/=NP;
-    RealD mflops = 1320*volume*DhopCalls/DhopComputeTime/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call                : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank       : " << mflops/NP << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node       : " << mflops/NN << std::endl;
-
-    RealD Fullmflops = 1320*volume*DhopCalls/(DhopTotalTime)/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call (full)         : " << Fullmflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per rank (full): " << Fullmflops/NP << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node (full): " << Fullmflops/NN << std::endl;
-
-   }
-
-  if ( DerivCalls > 0 ) {
-    std::cout << GridLogMessage << "#### Deriv calls report "<< std::endl;
-    std::cout << GridLogMessage << "WilsonFermion Number of Deriv Calls    : " <<DerivCalls <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion CommTime/Calls           : " <<DerivCommTime/DerivCalls<<" us" <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion ComputeTime/Calls        : " <<DerivComputeTime/DerivCalls<<" us" <<std::endl;
-    std::cout << GridLogMessage << "WilsonFermion Dhop ComputeTime/Calls   : " <<DerivDhopComputeTime/DerivCalls<<" us" <<std::endl;
-
-    // how to count flops here?
-    RealD mflops = 144*volume*DerivCalls/DerivDhopComputeTime;
-    std::cout << GridLogMessage << "Average mflops/s per call               ? : " << mflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node      ? : " << mflops/NP << std::endl;
-
-    // how to count flops here?
-    RealD Fullmflops = 144*volume*DerivCalls/(DerivDhopComputeTime+DerivCommTime)/2; // 2 for red black counting
-    std::cout << GridLogMessage << "Average mflops/s per call (full)        ? : " << Fullmflops << std::endl;
-    std::cout << GridLogMessage << "Average mflops/s per call per node (full) ? : " << Fullmflops/NP << std::endl;  }
-
-  if (DerivCalls > 0 || DhopCalls > 0){
-    std::cout << GridLogMessage << "WilsonFermion Stencil"    <<std::endl;  Stencil.Report();
-    std::cout << GridLogMessage << "WilsonFermion StencilEven"<<std::endl;  StencilEven.Report();
-    std::cout << GridLogMessage << "WilsonFermion StencilOdd" <<std::endl;  StencilOdd.Report();
-  }
-  if ( DhopCalls > 0){
-    std::cout << GridLogMessage << "WilsonFermion Stencil     Reporti()"    <<std::endl;  Stencil.Reporti(DhopCalls);
-    std::cout << GridLogMessage << "WilsonFermion StencilEven Reporti()"<<std::endl;  StencilEven.Reporti(DhopCalls);
-    std::cout << GridLogMessage << "WilsonFermion StencilOdd  Reporti()" <<std::endl;  StencilOdd.Reporti(DhopCalls);
-  }
-}
-
-template<class Impl>
-void WilsonFermion<Impl>::ZeroCounters(void) {
-  DhopCalls       = 0; // ok
-  DhopCommTime    = 0;
-  DhopComputeTime = 0;
-  DhopComputeTime2= 0;
-  DhopFaceTime    = 0;
-  DhopTotalTime   = 0;
-
-  DerivCalls       = 0; // ok
-  DerivCommTime    = 0;
-  DerivComputeTime = 0;
-  DerivDhopComputeTime = 0;
-
-  Stencil.ZeroCounters();
-  StencilEven.ZeroCounters();
-  StencilOdd.ZeroCounters();
-  Stencil.ZeroCountersi();
-  StencilEven.ZeroCountersi();
-  StencilOdd.ZeroCountersi();
-}
-
-
 template <class Impl>
 void WilsonFermion<Impl>::ImportGauge(const GaugeField &_Umu)
 {
@@ -320,7 +238,6 @@ template <class Impl>
 void WilsonFermion<Impl>::DerivInternal(StencilImpl &st, DoubledGaugeField &U,
                                         GaugeField &mat, const FermionField &A,
                                         const FermionField &B, int dag) {
-  DerivCalls++;
   assert((dag == DaggerNo) || (dag == DaggerYes));
 
   Compressor compressor(dag);
@@ -329,11 +246,8 @@ void WilsonFermion<Impl>::DerivInternal(StencilImpl &st, DoubledGaugeField &U,
   FermionField Atilde(B.Grid());
   Atilde = A;
 
-  DerivCommTime-=usecond();
   st.HaloExchange(B, compressor);
-  DerivCommTime+=usecond();
 
-  DerivComputeTime-=usecond();
   for (int mu = 0; mu < Nd; mu++) {
     ////////////////////////////////////////////////////////////////////////
     // Flip gamma (1+g)<->(1-g) if dag
@@ -341,7 +255,6 @@ void WilsonFermion<Impl>::DerivInternal(StencilImpl &st, DoubledGaugeField &U,
     int gamma = mu;
     if (!dag) gamma += Nd;
 
-    DerivDhopComputeTime -= usecond();
     int Ls=1;
     Kernels::DhopDirKernel(st, U, st.CommBuf(), Ls, B.Grid()->oSites(), B, Btilde, mu, gamma);
 
@@ -349,9 +262,7 @@ void WilsonFermion<Impl>::DerivInternal(StencilImpl &st, DoubledGaugeField &U,
     // spin trace outer product
     //////////////////////////////////////////////////
     Impl::InsertForce4D(mat, Btilde, Atilde, mu);
-    DerivDhopComputeTime += usecond();
   }
-  DerivComputeTime += usecond();
 }
 
 template <class Impl>
@@ -398,7 +309,6 @@ void WilsonFermion<Impl>::DhopDerivEO(GaugeField &mat, const FermionField &U, co
 template <class Impl>
 void WilsonFermion<Impl>::Dhop(const FermionField &in, FermionField &out, int dag)
 {
-  DhopCalls+=2;
   conformable(in.Grid(), _grid);  // verifies full grid
   conformable(in.Grid(), out.Grid());
 
@@ -410,7 +320,6 @@ void WilsonFermion<Impl>::Dhop(const FermionField &in, FermionField &out, int da
 template <class Impl>
 void WilsonFermion<Impl>::DhopOE(const FermionField &in, FermionField &out, int dag)
 {
-  DhopCalls++;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -423,7 +332,6 @@ void WilsonFermion<Impl>::DhopOE(const FermionField &in, FermionField &out, int
 template <class Impl>
 void WilsonFermion<Impl>::DhopEO(const FermionField &in, FermionField &out,int dag)
 {
-  DhopCalls++;
   conformable(in.Grid(), _cbgrid);    // verifies half grid
   conformable(in.Grid(), out.Grid());  // drops the cb check
 
@@ -488,14 +396,12 @@ void WilsonFermion<Impl>::DhopInternal(StencilImpl &st, LebesgueOrder &lo,
                                        const FermionField &in,
                                        FermionField &out, int dag)
 {
-  DhopTotalTime-=usecond();
 #ifdef GRID_OMP
   if ( WilsonKernelsStatic::Comms == WilsonKernelsStatic::CommsAndCompute )
     DhopInternalOverlappedComms(st,lo,U,in,out,dag);
   else
 #endif
     DhopInternalSerial(st,lo,U,in,out,dag);
-  DhopTotalTime+=usecond();
 }
 
 template <class Impl>
@@ -504,6 +410,7 @@ void WilsonFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, LebesgueO
 						      const FermionField &in,
 						      FermionField &out, int dag)
 {
+  GRID_TRACE("DhopOverlapped");
   assert((dag == DaggerNo) || (dag == DaggerYes));
 
   Compressor compressor(dag);
@@ -514,53 +421,55 @@ void WilsonFermion<Impl>::DhopInternalOverlappedComms(StencilImpl &st, LebesgueO
   /////////////////////////////
   std::vector<std::vector<CommsRequest_t> > requests;
   st.Prepare();
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("Gather");
     st.HaloGather(in,compressor);
-  DhopFaceTime+=usecond();
+  }
 
-  DhopCommTime -=usecond();
+  tracePush("Communication");
   st.CommunicateBegin(requests);
 
   /////////////////////////////
   // Overlap with comms
   /////////////////////////////
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("MergeSHM");
     st.CommsMergeSHM(compressor);
-  DhopFaceTime+=usecond();
+  }
 
   /////////////////////////////
   // do the compute interior
   /////////////////////////////
   int Opt = WilsonKernelsStatic::Opt;
-  DhopComputeTime-=usecond();
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDagInterior");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,1,0);
   } else {
+    GRID_TRACE("DhopInterior");
     Kernels::DhopKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,1,0);
   }
-  DhopComputeTime+=usecond();
 
   /////////////////////////////
   // Complete comms
   /////////////////////////////
   st.CommunicateComplete(requests);
-  DhopCommTime   +=usecond();
+  tracePop("Communication");
 
-  DhopFaceTime-=usecond();
+  {
+    GRID_TRACE("Merge");
     st.CommsMerge(compressor);
-  DhopFaceTime+=usecond();
+  }
-
   /////////////////////////////
   // do the compute exterior
   /////////////////////////////
 
-  DhopComputeTime2-=usecond();
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDagExterior");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,0,1);
   } else {
+    GRID_TRACE("DhopExterior");
     Kernels::DhopKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out,0,1);
   }
-  DhopComputeTime2+=usecond();
 };
 
 
@@ -570,20 +479,22 @@ void WilsonFermion<Impl>::DhopInternalSerial(StencilImpl &st, LebesgueOrder &lo,
                                        const FermionField &in,
                                        FermionField &out, int dag)
 {
+  GRID_TRACE("DhopSerial");
   assert((dag == DaggerNo) || (dag == DaggerYes));
   Compressor compressor(dag);
-  DhopCommTime-=usecond();
+  {
+    GRID_TRACE("HaloExchange");
     st.HaloExchange(in, compressor);
-  DhopCommTime+=usecond();
+  }
 
-  DhopComputeTime-=usecond();
   int Opt = WilsonKernelsStatic::Opt;
   if (dag == DaggerYes) {
+    GRID_TRACE("DhopDag");
     Kernels::DhopDagKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out);
   } else {
+    GRID_TRACE("Dhop");
     Kernels::DhopKernel(Opt,st,U,st.CommBuf(),1,U.oSites(),in,out);
   }
-  DhopComputeTime+=usecond();
 };
 /*Change ends */
 

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

@@ -73,11 +73,6 @@ accelerator_inline void get_stencil(StencilEntry * mem, StencilEntry &chip)
     int perm= SE->_permute;					\
     auto tmp = coalescedReadPermute(in[SE->_offset],ptype,perm,lane);	\
     spProj(chi,tmp);							\
-  } else if ( st.same_node[Dir] ) {				\
-    chi = coalescedRead(buf[SE->_offset],lane);			\
-  }								\
-  acceleratorSynchronise();						\
-  if (SE->_is_local || st.same_node[Dir] ) {			\
     Impl::multLink(Uchi, U[sU], chi, Dir, SE, st);			\
     Recon(result, Uchi);						\
   }									\
@@ -85,7 +80,7 @@ accelerator_inline void get_stencil(StencilEntry * mem, StencilEntry &chip)
 
 #define GENERIC_STENCIL_LEG_EXT(Dir,spProj,Recon)		\
   SE = st.GetEntry(ptype, Dir, sF);				\
-  if ((!SE->_is_local) && (!st.same_node[Dir]) ) {		\
+  if (!SE->_is_local ) {		\
     auto chi = coalescedRead(buf[SE->_offset],lane);		\
     Impl::multLink(Uchi, U[sU], chi, Dir, SE, st);		\
     Recon(result, Uchi);					\
@@ -416,19 +411,6 @@ void WilsonKernels<Impl>::DhopDirKernel( StencilImpl &st, DoubledGaugeField &U,S
 #undef LoopBody
 }
 
-#define KERNEL_CALL_TMP(A) \
-  const uint64_t    NN = Nsite*Ls;					\
-  auto U_p = & U_v[0];							\
-  auto in_p = & in_v[0];						\
-  auto out_p = & out_v[0];						\
-  auto st_p = st_v._entries_p;						\
-  auto st_perm = st_v._permute_type;					\
-  accelerator_forNB( ss, NN, Simd::Nsimd(), {				\
-      int sF = ss;							\
-      int sU = ss/Ls;							\
-      WilsonKernels<Impl>::A(st_perm,st_p,U_p,buf,sF,sU,in_p,out_p);	\
-    });									\
-  accelerator_barrier();
 
 #define KERNEL_CALLNB(A)						\
   const uint64_t    NN = Nsite*Ls;					\
@@ -440,12 +422,34 @@ void WilsonKernels<Impl>::DhopDirKernel( StencilImpl &st, DoubledGaugeField &U,S
 
 #define KERNEL_CALL(A) KERNEL_CALLNB(A); accelerator_barrier();
 
+#define KERNEL_CALL_EXT(A)						\
+  const uint64_t    NN = Nsite*Ls;					\
+  const uint64_t    sz = st.surface_list.size();			\
+  auto ptr = &st.surface_list[0];					\
+  accelerator_forNB( ss, sz, Simd::Nsimd(), {				\
+      int sF = ptr[ss];							\
+      int sU = ss/Ls;							\
+      WilsonKernels<Impl>::A(st_v,U_v,buf,sF,sU,in_v,out_v);		\
+    });									
+
 #define ASM_CALL(A)							\
-  thread_for( ss, Nsite, {						\
+  thread_for( sss, Nsite, {						\
+    int ss = st.lo->Reorder(sss);					\
     int sU = ss;							\
     int sF = ss*Ls;							\
     WilsonKernels<Impl>::A(st_v,U_v,buf,sF,sU,Ls,1,in_v,out_v);		\
   });
+#define ASM_CALL_SLICE(A)						\
+  auto grid = in.Grid() ;						\
+  int nt = grid->LocalDimensions()[4];					\
+  int nxyz = Nsite/nt ;							\
+  for(int t=0;t<nt;t++){						\
+  thread_for( sss, nxyz, {						\
+    int ss = t*nxyz+sss;						\
+    int sU = ss;							\
+    int sF = ss*Ls;							\
+    WilsonKernels<Impl>::A(st_v,U_v,buf,sF,sU,Ls,1,in_v,out_v);		\
+    });}
 
 template <class Impl>
 void WilsonKernels<Impl>::DhopKernel(int Opt,StencilImpl &st,  DoubledGaugeField &U, SiteHalfSpinor * buf,
@@ -508,7 +512,6 @@ void WilsonKernels<Impl>::DhopKernel(int Opt,StencilImpl &st,  DoubledGaugeField
 #ifndef GRID_CUDA
      if (Opt == WilsonKernelsStatic::OptInlineAsm  ) {  ASM_CALL(AsmDhopSiteDagExt);     return;}
 #endif
-     acceleratorFenceComputeStream();
    }
    assert(0 && " Kernel optimisation case not covered ");
   }

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

@@ -9,6 +9,7 @@ STAG5_IMPL_LIST=""
 WILSON_IMPL_LIST=" \
 	   WilsonImplF \
 	   WilsonImplD \
+	   WilsonImplD2 \
 	   WilsonAdjImplF \
 	   WilsonAdjImplD \
 	   WilsonTwoIndexSymmetricImplF \
@@ -25,8 +26,9 @@ COMPACT_WILSON_IMPL_LIST=" \
 DWF_IMPL_LIST=" \
 	   WilsonImplF \
 	   WilsonImplD \
+	   WilsonImplD2 \
 	   ZWilsonImplF \
-	   ZWilsonImplD "
+	   ZWilsonImplD2 "
 
 GDWF_IMPL_LIST=" \
 	   GparityWilsonImplF \

Grid/qcd/action/filters/DDHMCFilter.h

@@ -0,0 +1,115 @@
+/*************************************************************************************
+
+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);
+	}
+	if ( Width==4) { 
+	  U    = where(mod(coor,B1)==Integer(B1-4),zzz,U);
+	  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); 
+	  U    = where(mod(coor,B1)==Integer(3)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-5),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+      }
+
+    }
+   
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/filters/DirichletFilter.h

@@ -0,0 +1,71 @@
+/*************************************************************************************
+
+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 << GridLogMessage << " 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/filters/MomentumFilter.h

@@ -37,7 +37,8 @@ NAMESPACE_BEGIN(Grid);
 
 template<typename MomentaField>
 struct MomentumFilterBase{
-  virtual void applyFilter(MomentaField &P) const;
+  virtual void applyFilter(MomentaField &P) const = 0;
+  virtual ~MomentumFilterBase(){};
 };
 
 //Do nothing
@@ -83,7 +84,6 @@ struct MomentumFilterApplyPhase: public MomentumFilterBase<MomentaField>{
     
   }
 
-
 };
 
 

Grid/qcd/action/gauge/GaugeImplementations.h

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

Grid/qcd/action/pseudofermion/Bounds.h

@@ -14,6 +14,31 @@ NAMESPACE_BEGIN(Grid);
       assert( (lambda_max < hi) && " High Bounds Check on operator failed" );
     }
 
+     template<class Field> void ChebyBoundsCheck(LinearOperatorBase<Field> &HermOp,
+						 Field &GaussNoise,
+						 RealD lo,RealD hi) 
+    {
+      int orderfilter = 1000;
+      Chebyshev<Field> Cheb(lo,hi,orderfilter);
+
+      GridBase *FermionGrid = GaussNoise.Grid();
+
+      Field X(FermionGrid);
+      Field Z(FermionGrid);
+
+      X=GaussNoise;
+      RealD Nx = norm2(X);
+      Cheb(HermOp,X,Z);
+      RealD Nz = norm2(Z);
+
+      std::cout << "************************* "<<std::endl;
+      std::cout << " noise                    = "<<Nx<<std::endl;
+      std::cout << " Cheb x noise             = "<<Nz<<std::endl;
+      std::cout << " Ratio                    = "<<Nz/Nx<<std::endl;
+      std::cout << "************************* "<<std::endl;
+      assert( ((Nz/Nx)<1.0) && " ChebyBoundsCheck ");
+    }
+      
     template<class Field> void InverseSqrtBoundsCheck(int MaxIter,double tol,
 						       LinearOperatorBase<Field> &HermOp,
 						       Field &GaussNoise,
@@ -40,13 +65,65 @@ NAMESPACE_BEGIN(Grid);
       X=X-Y;
       RealD Nd = norm2(X);
       std::cout << "************************* "<<std::endl;
-      std::cout << " noise                         = "<<Nx<<std::endl;
+      std::cout << " | 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/ExactOneFlavourRatio.h

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

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h

@@ -0,0 +1,434 @@
+    /*************************************************************************************
+
+    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;
+      RealD  RefreshAction;
+      //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:
+
+      // allow non-uniform tolerances 
+      void SetTolerances(std::vector<RealD> action_tolerance,std::vector<RealD> md_tolerance)
+      {
+	assert(action_tolerance.size()==ApproxPowerAction.tolerances.size());
+	assert(    md_tolerance.size()==ApproxPowerMD.tolerances.size());
+	
+	// Fix up the tolerances
+	for(int i=0;i<ApproxPowerAction.tolerances.size();i++){
+	  ApproxPowerAction.tolerances[i]       = action_tolerance[i];
+	  ApproxNegPowerAction.tolerances[i]    = action_tolerance[i];
+	  ApproxHalfPowerAction.tolerances[i]   = action_tolerance[i];
+	  ApproxNegHalfPowerAction.tolerances[i]= action_tolerance[i];
+	}
+	for(int i=0;i<ApproxPowerMD.tolerances.size();i++){
+	  ApproxPowerMD.tolerances[i]       = md_tolerance[i];
+	  ApproxNegPowerMD.tolerances[i]    = md_tolerance[i];
+	  ApproxHalfPowerMD.tolerances[i]   = md_tolerance[i];
+	  ApproxNegHalfPowerMD.tolerances[i]= md_tolerance[i];
+	}
+	
+	// Print out - could deprecate
+	for(int i=0;i<ApproxPowerMD.tolerances.size();i++) {
+	  std::cout<<GridLogMessage << " ApproxPowerMD shift["<<i<<"] "
+		   <<" pole    "<<ApproxPowerMD.poles[i]
+		   <<" residue "<<ApproxPowerMD.residues[i]
+		   <<" tol     "<<ApproxPowerMD.tolerances[i]<<std::endl;
+	}
+	/*
+	  for(int i=0;i<ApproxNegPowerMD.tolerances.size();i++) {
+	  std::cout<<GridLogMessage << " ApproxNegPowerMD shift["<<i<<"] "
+		   <<" pole    "<<ApproxNegPowerMD.poles[i]
+		   <<" residue "<<ApproxNegPowerMD.residues[i]
+		   <<" tol     "<<ApproxNegPowerMD.tolerances[i]<<std::endl;
+	}
+	for(int i=0;i<ApproxHalfPowerMD.tolerances.size();i++) {
+	  std::cout<<GridLogMessage << " ApproxHalfPowerMD shift["<<i<<"] "
+		   <<" pole    "<<ApproxHalfPowerMD.poles[i]
+		   <<" residue "<<ApproxHalfPowerMD.residues[i]
+		   <<" tol     "<<ApproxHalfPowerMD.tolerances[i]<<std::endl;
+	}
+	for(int i=0;i<ApproxNegHalfPowerMD.tolerances.size();i++) {
+	  std::cout<<GridLogMessage << " ApproxNegHalfPowerMD shift["<<i<<"] "
+		   <<" pole    "<<ApproxNegHalfPowerMD.poles[i]
+		   <<" residue "<<ApproxNegHalfPowerMD.residues[i]
+		   <<" tol     "<<ApproxNegHalfPowerMD.tolerances[i]<<std::endl;
+	}
+	*/
+	
+      }
+      
+      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::vector<RealD> action_tolerance(ApproxHalfPowerAction.tolerances.size(),param.action_tolerance);
+	std::vector<RealD> md_tolerance    (ApproxHalfPowerMD.tolerances.size(),param.md_tolerance);
+
+	SetTolerances(action_tolerance, 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();
+
+	RefreshAction = norm2( etaOdd );
+        std::cout<<GridLogMessage << action_name() << " refresh: action is " << RefreshAction << 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 Sinitial(const GaugeField &U) {
+	std::cout << GridLogMessage << "Returning stored two flavour refresh action "<<RefreshAction<<std::endl;
+	return RefreshAction;
+      }
+
+      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 +1,133 @@
+    /*************************************************************************************
+
+    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
+
+#include <Grid/algorithms/iterative/ConjugateGradientMultiShiftCleanup.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 ImplD2>
+    class GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<ImplD> {
+    private:
+      typedef typename ImplD2::FermionField FermionFieldD2;
+      typedef typename ImplD::FermionField FermionFieldD;
+      typedef typename ImplF::FermionField FermionFieldF;
+
+      FermionOperator<ImplD> & NumOpD;
+      FermionOperator<ImplD> & DenOpD;
+
+      FermionOperator<ImplD2> & NumOpD2;
+      FermionOperator<ImplD2> & DenOpD2;
+     
+      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){
+#if 0
+	SchurDifferentiableOperator<ImplD> schurOp(numerator ? NumOpD : DenOpD);
+	ConjugateGradientMultiShift<FermionFieldD> msCG(MaxIter, approx);
+	msCG(schurOp,in, out);
+#else
+	SchurDifferentiableOperator<ImplD2> schurOpD2(numerator ? NumOpD2 : DenOpD2);
+	SchurDifferentiableOperator<ImplF> schurOpF(numerator ? NumOpF : DenOpF);
+	FermionFieldD2 inD2(NumOpD2.FermionRedBlackGrid());
+	FermionFieldD2 outD2(NumOpD2.FermionRedBlackGrid());
+
+	// Action better with higher precision?
+	ConjugateGradientMultiShiftMixedPrec<FermionFieldD2, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
+	precisionChange(inD2,in);
+	std::cout << "msCG single solve "<<norm2(inD2)<<" " <<norm2(in)<<std::endl;
+	msCG(schurOpD2, inD2, outD2);
+	precisionChange(out,outD2);
+#endif
+      }
+      virtual void multiShiftInverse(bool numerator, const MultiShiftFunction &approx, const Integer MaxIter, const FermionFieldD &in, std::vector<FermionFieldD> &out_elems, FermionFieldD &out){
+	SchurDifferentiableOperator<ImplD2> schurOpD2(numerator ? NumOpD2 : DenOpD2);
+	SchurDifferentiableOperator<ImplF>  schurOpF (numerator ? NumOpF  : DenOpF);
+
+	FermionFieldD2 inD2(NumOpD2.FermionRedBlackGrid());
+	FermionFieldD2 outD2(NumOpD2.FermionRedBlackGrid());
+	std::vector<FermionFieldD2> out_elemsD2(out_elems.size(),NumOpD2.FermionRedBlackGrid());
+	ConjugateGradientMultiShiftMixedPrecCleanup<FermionFieldD2, FermionFieldF> msCG(MaxIter, approx, NumOpF.FermionRedBlackGrid(), schurOpF, ReliableUpdateFreq);
+	precisionChange(inD2,in);
+	std::cout << "msCG in "<<norm2(inD2)<<" " <<norm2(in)<<std::endl;
+	msCG(schurOpD2, inD2, out_elemsD2, outD2);
+	precisionChange(out,outD2);
+	for(int i=0;i<out_elems.size();i++){
+	  precisionChange(out_elems[i],out_elemsD2[i]);
+	}
+      }
+      //Allow derived classes to override the gauge import
+      virtual void ImportGauge(const typename ImplD::GaugeField &Ud){
+
+	typename ImplF::GaugeField Uf(NumOpF.GaugeGrid());
+	typename ImplD2::GaugeField Ud2(NumOpD2.GaugeGrid());
+	precisionChange(Uf, Ud);
+	precisionChange(Ud2, Ud);
+
+	std::cout << "Importing "<<norm2(Ud)<<" "<< norm2(Uf)<<" " << norm2(Ud2)<<std::endl;
+	
+	NumOpD.ImportGauge(Ud);
+	DenOpD.ImportGauge(Ud);
+
+	NumOpF.ImportGauge(Uf);
+	DenOpF.ImportGauge(Uf);
+
+	NumOpD2.ImportGauge(Ud2);
+	DenOpD2.ImportGauge(Ud2);
+      }
+      
+    public:
+      GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction(FermionOperator<ImplD>  &_NumOpD, FermionOperator<ImplD>  &_DenOpD, 
+							      FermionOperator<ImplF>  &_NumOpF, FermionOperator<ImplF>  &_DenOpF, 
+							      FermionOperator<ImplD2>  &_NumOpD2, FermionOperator<ImplD2>  &_DenOpD2, 
+							      const RationalActionParams & p, Integer _ReliableUpdateFreq
+							      ) : GeneralEvenOddRatioRationalPseudoFermionAction<ImplD>(_NumOpD, _DenOpD, p),
+								  ReliableUpdateFreq(_ReliableUpdateFreq),
+								  NumOpD(_NumOpD), DenOpD(_DenOpD),
+								  NumOpF(_NumOpF), DenOpF(_DenOpF),
+								  NumOpD2(_NumOpD2), DenOpD2(_DenOpD2)
+      {}
+      
+      virtual std::string action_name(){return "GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction";}
+    };
+
+NAMESPACE_END(Grid);
+
+#endif

Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h

@@ -40,249 +40,64 @@ 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();
-	
     };
 
-      //////////////////////////////////////////////////////
+    template<class Impl,class ImplF,class ImplD2>
-      // 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       
+    class OneFlavourEvenOddRatioRationalMixedPrecPseudoFermionAction
-      //////////////////////////////////////////////////////
+      : public GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<Impl,ImplF,ImplD2> {
-      virtual RealD S(const GaugeField &U) {
+    public:
-
+      typedef OneFlavourRationalParams Params;
-	NumOp.ImportGauge(U);
+    private:
-	DenOp.ImportGauge(U);
+      static RationalActionParams transcribe(const Params &in){
-
+	RationalActionParams out;
-	FermionField X(NumOp.FermionRedBlackGrid());
+	out.inv_pow = 2;
-	FermionField Y(NumOp.FermionRedBlackGrid());
+	out.lo = in.lo;
-
+	out.hi = in.hi;
-	// VdagV^1/4 Phi
+	out.MaxIter = in.MaxIter;
-	SchurDifferentiableOperator<Impl> VdagV(NumOp);
+	out.action_tolerance = out.md_tolerance = in.tolerance;
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
+	out.action_degree = out.md_degree = in.degree;
-	msCG_V(VdagV,PhiOdd,X);
+	out.precision = in.precision;
-
+	out.BoundsCheckFreq = in.BoundsCheckFreq;
-	// MdagM^-1/4 VdagV^1/4 Phi
+	return out;
-	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
+    public:
-	RealD action = norm2(Y);
+      OneFlavourEvenOddRatioRationalMixedPrecPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+								 FermionOperator<Impl>  &_DenOp, 
+								 FermionOperator<ImplF>  &_NumOpF, 
+								 FermionOperator<ImplF>  &_DenOpF, 
+								 FermionOperator<ImplD2>  &_NumOpD2, 
+								 FermionOperator<ImplD2>  &_DenOpD2, 
+								 const Params & p, Integer ReliableUpdateFreq
+							) : 
+	GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<Impl,ImplF,ImplD2>(_NumOp, _DenOp,_NumOpF, _DenOpF,_NumOpD2, _DenOpD2, transcribe(p),ReliableUpdateFreq){}
 
-	return action;
+      virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}      
-      };
-
-      // 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/OneFlavourRationalRatio.h

@@ -49,10 +49,12 @@ NAMESPACE_BEGIN(Grid);
       Params param;
 
       MultiShiftFunction PowerHalf   ;
-      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerQuarter;
+      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerNegQuarter;
 
+      MultiShiftFunction MDPowerQuarter;
+      MultiShiftFunction MDPowerNegHalf;
     private:
      
       FermionOperator<Impl> & NumOp;// the basic operator
@@ -73,15 +75,22 @@ NAMESPACE_BEGIN(Grid);
 	remez.generateApprox(param.degree,1,2);
 	PowerHalf.Init(remez,param.tolerance,false);
 	PowerNegHalf.Init(remez,param.tolerance,true);
+	MDPowerNegHalf.Init(remez,param.mdtolerance,true);
 
 	// MdagM^(+- 1/4)
 	std::cout<<GridLogMessage << "Generating degree "<<param.degree<<" for x^(1/4)"<<std::endl;
 	remez.generateApprox(param.degree,1,4);
    	PowerQuarter.Init(remez,param.tolerance,false);
+   	MDPowerQuarter.Init(remez,param.mdtolerance,false);
 	PowerNegQuarter.Init(remez,param.tolerance,true);
       };
 
-      virtual std::string action_name(){return "OneFlavourRatioRationalPseudoFermionAction";}
+      virtual std::string action_name(){
+	std::stringstream sstream;
+	sstream<<"OneFlavourRatioRationalPseudoFermionAction("
+	       <<DenOp.Mass()<<") / det("<<NumOp.Mass()<<")";
+	return sstream.str();
+      }
       
       virtual std::string LogParameters(){
 	std::stringstream sstream;
@@ -204,8 +213,8 @@ NAMESPACE_BEGIN(Grid);
 
       virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
 
-	const int n_f  = PowerNegHalf.poles.size();
+	const int n_f  = MDPowerNegHalf.poles.size();
-	const int n_pv = PowerQuarter.poles.size();
+	const int n_pv = MDPowerQuarter.poles.size();
 
 	std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionGrid());
 	std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionGrid());
@@ -224,8 +233,8 @@ NAMESPACE_BEGIN(Grid);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);
 
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
+	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,MDPowerQuarter);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);
+	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,MDPowerNegHalf);
 
 	msCG_V(VdagV,Phi,MpvPhi_k,MpvPhi);
 	msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
@@ -244,7 +253,7 @@ NAMESPACE_BEGIN(Grid);
 
 	//(1)
 	for(int k=0;k<n_f;k++){
-	  ak = PowerNegHalf.residues[k];
+	  ak = MDPowerNegHalf.residues[k];
 	  DenOp.M(MfMpvPhi_k[k],Y);
 	  DenOp.MDeriv(tmp , MfMpvPhi_k[k], Y,DaggerYes );  dSdU=dSdU+ak*tmp;
 	  DenOp.MDeriv(tmp , Y, MfMpvPhi_k[k], DaggerNo );  dSdU=dSdU+ak*tmp;
@@ -254,7 +263,7 @@ NAMESPACE_BEGIN(Grid);
 	//(3)
 	for(int k=0;k<n_pv;k++){
 
-          ak = PowerQuarter.residues[k];
+          ak = MDPowerQuarter.residues[k];
 	  
 	  NumOp.M(MpvPhi_k[k],Y);
 	  NumOp.MDeriv(tmp,MpvMfMpvPhi_k[k],Y,DaggerYes); dSdU=dSdU+ak*tmp;

Grid/qcd/action/pseudofermion/PseudoFermion.h

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

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
 
+      RealD RefreshAction;
+      
     public:
       TwoFlavourEvenOddRatioPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
                                                 FermionOperator<Impl>  &_DenOp, 
@@ -75,24 +77,22 @@ NAMESPACE_BEGIN(Grid);
           conformable(_NumOp.GaugeRedBlackGrid(), _DenOp.GaugeRedBlackGrid());
         };
 
-      virtual std::string action_name(){return "TwoFlavourEvenOddRatioPseudoFermionAction";}
+      virtual std::string action_name(){
+	std::stringstream sstream;
+	sstream<<"TwoFlavourEvenOddRatioPseudoFermionAction det("<<DenOp.Mass()<<") / det("<<NumOp.Mass()<<")";
+	return sstream.str();
+      }
 
       virtual std::string LogParameters(){
 	std::stringstream sstream;
-	sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+	sstream<< GridLogMessage << "["<<action_name()<<"] -- No further parameters "<<std::endl;
 	return sstream.str();
       } 
 
       
-      virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
+      const FermionField &getPhiOdd() const{ return PhiOdd; }
 
-        // P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
+      virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
-        //
-        // 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.
@@ -100,39 +100,59 @@ NAMESPACE_BEGIN(Grid);
         RealD scale = std::sqrt(0.5);
 
         FermionField eta    (NumOp.FermionGrid());
+        gaussian(pRNG,eta); eta = eta * scale;
+
+	refresh(U,eta);
+      }
+
+      void refresh(const GaugeField &U, const FermionField &eta) {
+
+        // P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
+        //
+        // NumOp == V
+        // DenOp == M
+        //
         FermionField etaOdd (NumOp.FermionRedBlackGrid());
         FermionField etaEven(NumOp.FermionRedBlackGrid());
         FermionField tmp    (NumOp.FermionRedBlackGrid());
 
-        gaussian(pRNG,eta);
-
         pickCheckerboard(Even,etaEven,eta);
         pickCheckerboard(Odd,etaOdd,eta);
 
         NumOp.ImportGauge(U);
         DenOp.ImportGauge(U);
+	std::cout << " TwoFlavourRefresh:  Imported gauge "<<std::endl;
 
         SchurDifferentiableOperator<Impl> Mpc(DenOp);
         SchurDifferentiableOperator<Impl> Vpc(NumOp);
 
+	std::cout << " TwoFlavourRefresh: Diff ops "<<std::endl;
         // Odd det factors
         Mpc.MpcDag(etaOdd,PhiOdd);
+	std::cout << " TwoFlavourRefresh: MpcDag "<<std::endl;
         tmp=Zero();
+	std::cout << " TwoFlavourRefresh: Zero() guess "<<std::endl;
         HeatbathSolver(Vpc,PhiOdd,tmp);
+	std::cout << " TwoFlavourRefresh: Heatbath solver "<<std::endl;
         Vpc.Mpc(tmp,PhiOdd);            
+	std::cout << " TwoFlavourRefresh: Mpc "<<std::endl;
 
         // Even det factors
         DenOp.MooeeDag(etaEven,tmp);
         NumOp.MooeeInvDag(tmp,PhiEven);
+	std::cout << " TwoFlavourRefresh: Mee "<<std::endl;
 
-        PhiOdd =PhiOdd*scale;
+	RefreshAction = norm2(etaEven)+norm2(etaOdd);
-        PhiEven=PhiEven*scale;
+	std::cout << " refresh " <<action_name()<< " action "<<RefreshAction<<std::endl;
-        
       };
 
       //////////////////////////////////////////////////////
       // S = phi^dag V (Mdag M)^-1 Vdag phi
       //////////////////////////////////////////////////////
+      virtual RealD Sinitial(const GaugeField &U) {
+	std::cout << GridLogMessage << "Returning stored two flavour refresh action "<<RefreshAction<<std::endl;
+	return RefreshAction;
+      }
       virtual RealD S(const GaugeField &U) {
 
         NumOp.ImportGauge(U);

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/action/scalar/ScalarInteractionAction.h

@@ -47,7 +47,7 @@ private:
   const unsigned int N = Impl::Group::Dimension;
 
   typedef typename Field::vector_object vobj;
-  typedef CartesianStencil<vobj, vobj,int> Stencil;
+  typedef CartesianStencil<vobj, vobj,DefaultImplParams> Stencil;
 
   SimpleCompressor<vobj> compressor;
   int npoint = 2 * Ndim;
@@ -82,7 +82,7 @@ public:
   virtual RealD S(const Field &p)
   {
     assert(p.Grid()->Nd() == Ndim);
-    static Stencil phiStencil(p.Grid(), npoint, 0, directions, displacements,0);
+    static Stencil phiStencil(p.Grid(), npoint, 0, directions, displacements);
     phiStencil.HaloExchange(p, compressor);
     Field action(p.Grid()), pshift(p.Grid()), phisquared(p.Grid());
     phisquared = p * p;
@@ -133,7 +133,7 @@ public:
     double interm_t = usecond();
 
     // move this outside
-    static Stencil phiStencil(p.Grid(), npoint, 0, directions, displacements,0);
+    static Stencil phiStencil(p.Grid(), npoint, 0, directions, displacements);
 
     phiStencil.HaloExchange(p, compressor);
     double halo_t = usecond();

Grid/qcd/gparity/Gparity.h

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

Grid/qcd/gparity/GparityFlavour.cc

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

Grid/qcd/gparity/GparityFlavour.h

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

Grid/qcd/hmc/GenericHMCrunner.h

@@ -129,18 +129,10 @@ public:
     Runner(S);
   }
 
-  //////////////////////////////////////////////////////////////////
+  //Use the checkpointer to initialize the RNGs and the gauge field, writing the resulting gauge field into U.
-
+  //This is called automatically by Run but may be useful elsewhere, e.g. for integrator tuning experiments
-private:
+  void initializeGaugeFieldAndRNGs(Field &U){
-  template <class SmearingPolicy>
+    if(!Resources.haveRNGs()) Resources.AddRNGs();
-  void Runner(SmearingPolicy &Smearing) {
-    auto UGrid = Resources.GetCartesian();
-    Resources.AddRNGs();
-    Field U(UGrid);
-
-    // Can move this outside?
-    typedef IntegratorType<SmearingPolicy> TheIntegrator;
-    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
 
     if (Parameters.StartingType == "HotStart") {
       // Hot start
@@ -159,14 +151,43 @@ private:
       Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
 						     Resources.GetSerialRNG(),
 						     Resources.GetParallelRNG());
+    } else if (Parameters.StartingType == "CheckpointStartReseed") {
+      // Same as CheckpointRestart but reseed the RNGs using the fixed integer seeding used for ColdStart and HotStart
+      // Useful for creating new evolution streams from an existing stream
+      
+      // WARNING: Unfortunately because the checkpointer doesn't presently allow us to separately restore the RNG and gauge fields we have to load
+      // an existing RNG checkpoint first; make sure one is available and named correctly
+      Resources.GetCheckPointer()->CheckpointRestore(Parameters.StartTrajectory, U,
+						     Resources.GetSerialRNG(),
+						     Resources.GetParallelRNG());
+      Resources.SeedFixedIntegers();      
     } else {
       // others
       std::cout << GridLogError << "Unrecognized StartingType\n";
       std::cout
 	<< GridLogError
-	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+	<< "Valid [HotStart, ColdStart, TepidStart, CheckpointStart, CheckpointStartReseed]\n";
       exit(1);
     }
+  }
+
+
+
+  //////////////////////////////////////////////////////////////////
+
+private:
+  template <class SmearingPolicy>
+  void Runner(SmearingPolicy &Smearing) {
+    auto UGrid = Resources.GetCartesian();
+    Field U(UGrid);
+
+    initializeGaugeFieldAndRNGs(U);
+
+    typedef IntegratorType<SmearingPolicy> TheIntegrator;
+    TheIntegrator MDynamics(UGrid, Parameters.MD, TheAction, Smearing);
+
+    // Sets the momentum filter
+    MDynamics.setMomentumFilter(*(Resources.GetMomentumFilter()));
 
     Smearing.set_Field(U);
 

Grid/qcd/hmc/HMC.h

@@ -34,6 +34,7 @@ directory
 			    * @brief Classes for Hybrid Monte Carlo update
 			    *
 			    * @author Guido Cossu
+			    * @author Peter Boyle
 			    */
 			   //--------------------------------------------------------------------
 #pragma once
@@ -52,6 +53,7 @@ struct HMCparameters: Serializable {
                                   Integer, Trajectories, /* @brief Number of sweeps in this run */
                                   bool, MetropolisTest,
                                   Integer, NoMetropolisUntil,
+				  bool, PerformRandomShift, /* @brief Randomly shift the gauge configuration at the start of a trajectory */
                                   std::string, StartingType,
                                   IntegratorParameters, MD)
 
@@ -62,6 +64,7 @@ struct HMCparameters: Serializable {
     StartTrajectory   = 0;
     Trajectories      = 10;
     StartingType      = "HotStart";
+    PerformRandomShift = true;
     /////////////////////////////////
   }
 
@@ -82,6 +85,7 @@ struct HMCparameters: Serializable {
     std::cout << GridLogMessage << "[HMC parameters] Start trajectory        : " << StartTrajectory << "\n";
     std::cout << GridLogMessage << "[HMC parameters] Metropolis test (on/off): " << std::boolalpha << MetropolisTest << "\n";
     std::cout << GridLogMessage << "[HMC parameters] Thermalization trajs    : " << NoMetropolisUntil << "\n";
+    std::cout << GridLogMessage << "[HMC parameters] Doing random shift      : " << std::boolalpha << PerformRandomShift << "\n";
     std::cout << GridLogMessage << "[HMC parameters] Starting type           : " << StartingType << "\n";
     MD.print_parameters();
   }
@@ -94,6 +98,7 @@ private:
   const HMCparameters Params;
 
   typedef typename IntegratorType::Field Field;
+  typedef typename IntegratorType::FieldImplementation FieldImplementation;
   typedef std::vector< HmcObservable<Field> * > ObsListType;
 
   //pass these from the resource manager
@@ -115,22 +120,17 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogMessage
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
-              << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage << "exp(-dH) = " << prob
+    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
-              << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage
-              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
-      std::cout << GridLogMessage << "Metropolis_test -- ACCEPTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
-      std::cout << GridLogMessage << "Metropolis_test -- REJECTED\n";
+      std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogMessage
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
-                << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -139,18 +139,79 @@ private:
   // Evolution
   /////////////////////////////////////////////////////////
   RealD evolve_hmc_step(Field &U) {
-    TheIntegrator.refresh(U, sRNG, pRNG);  // set U and initialize P and phi's
 
-    RealD H0 = TheIntegrator.S(U);  // initial state action
+    GridBase *Grid = U.Grid();
+
+    if(Params.PerformRandomShift){
+#if 0
+      //////////////////////////////////////////////////////////////////////////////////////////////////////
+      // Mainly for DDHMC perform a random translation of U modulo volume
+      //////////////////////////////////////////////////////////////////////////////////////////////////////
+      std::cout << GridLogMessage << "--------------------------------------------------\n";
+      std::cout << GridLogMessage << "Random shifting gauge field by [";
+
+      std::vector<typename FieldImplementation::GaugeLinkField> Umu(Grid->Nd(), U.Grid());
+      for(int mu=0;mu<Grid->Nd();mu++) Umu[mu] = PeekIndex<LorentzIndex>(U, mu);
+
+      for(int d=0;d<Grid->Nd();d++) {
+
+	int L = Grid->GlobalDimensions()[d];
+
+	RealD rn_uniform;  random(sRNG, rn_uniform);
+
+	int shift = (int) (rn_uniform*L);
+
+	std::cout << shift;
+	if(d<Grid->Nd()-1) std::cout <<",";
+	else               std::cout <<"]\n";
+      
+	//shift all fields together in a way that respects the gauge BCs
+	for(int mu=0; mu < Grid->Nd(); mu++)
+	  Umu[mu] = FieldImplementation::CshiftLink(Umu[mu],d,shift);
+
+	for(int mu=0;mu<Grid->Nd();mu++) PokeIndex<LorentzIndex>(U,Umu[mu],mu);
+      }
+      std::cout << GridLogMessage << "--------------------------------------------------\n";
+#endif	
+    }
+
+    TheIntegrator.reset_timer();
+    
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // set U and initialize P and phi's
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Refresh momenta and pseudofermions";
+    TheIntegrator.refresh(U, sRNG, pRNG);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // initial state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute initial action";
+    RealD H0 = TheIntegrator.Sinitial(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
     std::streamsize current_precision = std::cout.precision();
     std::cout.precision(15);
-    std::cout << GridLogMessage << "Total H before trajectory = " << H0 << "\n";
+    std::cout << GridLogHMC << "Total H before trajectory = " << H0 << "\n";
     std::cout.precision(current_precision);
 
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << " Molecular Dynamics evolution ";
     TheIntegrator.integrate(U);
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute final action";
+    RealD H1 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
 
-    RealD H1 = TheIntegrator.S(U);  // updated state action
     
     ///////////////////////////////////////////////////////////
     if(0){
@@ -163,18 +224,17 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
-
     std::cout.precision(15);
-    std::cout << GridLogMessage << "Total H after trajectory  = " << H1
+
-	      << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1 << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+
     std::cout.precision(current_precision);
     
     return (H1 - H0);
   }
 
-
-  
-
 public:
   /////////////////////////////////////////
   // Constructor
@@ -195,10 +255,13 @@ public:
 
     // Actual updates (evolve a copy Ucopy then copy back eventually)
     unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
+
     for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
-      std::cout << GridLogMessage << "-- # Trajectory = " << traj << "\n";
+
+      std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
-      	std::cout << GridLogMessage << "-- Thermalization" << std::endl;
+      	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
       
       double t0=usecond();
@@ -207,20 +270,19 @@ public:
       DeltaH = evolve_hmc_step(Ucopy);
       // Metropolis-Hastings test
       bool accept = true;
-      if (traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
+      if (Params.MetropolisTest && traj >= Params.StartTrajectory + Params.NoMetropolisUntil) {
         accept = metropolis_test(DeltaH);
       } else {
-      	std::cout << GridLogMessage << "Skipping Metropolis test" << std::endl;
+      	std::cout << GridLogHMC << "Skipping Metropolis test" << std::endl;
       }
 
       if (accept)
         Ucur = Ucopy; 
       
-     
-      
       double t1=usecond();
-      std::cout << GridLogMessage << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
+      std::cout << GridLogHMC << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
 
+      TheIntegrator.print_timer();
 
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;
@@ -228,7 +290,7 @@ public:
       	std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
         Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
       }
-      std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
+      std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
     }
   }
 

Grid/qcd/hmc/HMCModules.h

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

Grid/qcd/hmc/HMCResourceManager.h

@@ -72,6 +72,8 @@ class HMCResourceManager {
   typedef HMCModuleBase< BaseHmcCheckpointer<ImplementationPolicy> > CheckpointerBaseModule;
   typedef HMCModuleBase< HmcObservable<typename ImplementationPolicy::Field> > ObservableBaseModule;
   typedef ActionModuleBase< Action<typename ImplementationPolicy::Field>, GridModule > ActionBaseModule;
+  typedef typename ImplementationPolicy::Field MomentaField;
+  typedef typename ImplementationPolicy::Field Field;  
 
   // Named storage for grid pairs (std + red-black)
   std::unordered_map<std::string, GridModule> Grids;
@@ -80,6 +82,9 @@ class HMCResourceManager {
   // SmearingModule<ImplementationPolicy> Smearing;
   std::unique_ptr<CheckpointerBaseModule> CP;
 
+  // Momentum filter
+  std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> > Filter;
+  
   // A vector of HmcObservable modules
   std::vector<std::unique_ptr<ObservableBaseModule> > ObservablesList;
 
@@ -90,6 +95,7 @@ class HMCResourceManager {
 
   bool have_RNG;
   bool have_CheckPointer;
+  bool have_Filter;
 
   // NOTE: operator << is not overloaded for std::vector<string> 
   // so this function is necessary
@@ -101,7 +107,7 @@ class HMCResourceManager {
 
 
 public:
-  HMCResourceManager() : have_RNG(false), have_CheckPointer(false) {}
+  HMCResourceManager() : have_RNG(false), have_CheckPointer(false), have_Filter(false) {}
 
   template <class ReaderClass, class vector_type = vComplex >
   void initialize(ReaderClass &Read){
@@ -129,6 +135,7 @@ public:
     RNGModuleParameters RNGpar(Read);
     SetRNGSeeds(RNGpar);
 
+  
     // Observables
     auto &ObsFactory = HMC_ObservablesModuleFactory<observable_string, typename ImplementationPolicy::Field, ReaderClass>::getInstance(); 
     Read.push(observable_string);// here must check if existing...
@@ -208,6 +215,16 @@ public:
     AddGrid(s, Mod);
   }
 
+  void SetMomentumFilter( MomentumFilterBase<typename ImplementationPolicy::Field> * MomFilter) {
+    assert(have_Filter==false);
+    Filter = std::unique_ptr<MomentumFilterBase<typename ImplementationPolicy::Field> >(MomFilter);
+    have_Filter = true;
+  }
+  MomentumFilterBase<typename ImplementationPolicy::Field> *GetMomentumFilter(void) {
+    if ( !have_Filter)
+      SetMomentumFilter(new MomentumFilterNone<typename ImplementationPolicy::Field>());
+    return Filter.get();
+  }
 
   GridCartesian* GetCartesian(std::string s = "") {
     if (s.empty()) s = Grids.begin()->first;
@@ -227,6 +244,9 @@ public:
   // Random number generators
   //////////////////////////////////////////////////////
   
+  //Return true if the RNG objects have been instantiated
+  bool haveRNGs() const{ return have_RNG; }
+
   void AddRNGs(std::string s = "") {
     // Couple the RNGs to the GridModule tagged by s
     // the default is the first grid registered

Grid/qcd/hmc/integrators/Integrator.h

@@ -33,7 +33,6 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
-#include "MomentumFilter.h"
 
 NAMESPACE_BEGIN(Grid);
 
@@ -64,9 +63,10 @@ public:
 };
 
 /*! @brief Class for Molecular Dynamics management */
-template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy>
+template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
+  typedef FieldImplementation_ FieldImplementation;
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
 
@@ -119,36 +119,65 @@ protected:
     }
   } update_P_hireps{};
 
+ 
   void update_P(MomentaField& Mom, Field& U, int level, double ep) {
     // input U actually not used in the fundamental case
     // Fundamental updates, include smearing
 
     for (int a = 0; a < as[level].actions.size(); ++a) {
+
       double start_full = usecond();
       Field force(U.Grid());
       conformable(U.Grid(), Mom.Grid());
 
       Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
       double start_force = usecond();
+
+      std::cout << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] before"<<std::endl;
+      
+      as[level].actions.at(a)->deriv_timer_start();
       as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+      as[level].actions.at(a)->deriv_timer_stop();
+
+      std::cout << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] after"<<std::endl;
 
       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);
+
       force = FieldImplementation::projectForce(force); // Ta for gauge fields
       double end_force = usecond();
-      Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites());
+
-      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << std::endl;
+      //      DumpSliceNorm("force ",force,Nd-1);
+      MomFilter->applyFilter(force);
+      std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<<" dt "<<ep<<  std::endl;
+      DumpSliceNorm("force filtered ",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;    
+
+      Real force_max   = std::sqrt(maxLocalNorm2(force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      as[level].actions.at(a)->deriv_log(force_abs,force_max,impulse_abs,impulse_max);
+      
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] dt           : " << ep <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force average: " << force_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force max    : " << force_max <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt average  : " << impulse_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt max      : " << impulse_max <<" "<<name<<std::endl;
+
       Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;; 
       double end_full = usecond();
       double time_full  = (end_full - start_full) / 1e3;
       double time_force = (end_force - start_force) / 1e3;
       std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)"  << std::endl;
+
     }
 
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
-    MomFilter->applyFilter(Mom);
   }
 
   void update_U(Field& U, double ep) 
@@ -162,8 +191,12 @@ protected:
   
   void update_U(MomentaField& Mom, Field& U, double ep) 
   {
+    MomentaField MomFiltered(Mom.Grid());
+    MomFiltered = Mom;
+    MomFilter->applyFilter(MomFiltered);
+
     // exponential of Mom*U in the gauge fields case
-    FieldImplementation::update_field(Mom, U, ep);
+    FieldImplementation::update_field(MomFiltered, U, ep);
 
     // Update the smeared fields, can be implemented as observer
     Smearer.set_Field(U);
@@ -206,6 +239,77 @@ public:
   const MomentaField & getMomentum() const{ return P; }
   
 
+  void reset_timer(void)
+  {
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+        as[level].actions.at(actionID)->reset_timer();
+      }
+    }
+  }
+  void print_timer(void)
+  {
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
+    std::cout << GridLogMessage << " Refresh cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->refresh_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Action cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->S_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->deriv_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Dslash counts "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    uint64_t full, partial, dirichlet;
+    DslashGetCounts(dirichlet,partial,full);
+    std::cout << GridLogMessage << " Full BCs               : "<<full<<std::endl;
+    std::cout << GridLogMessage << " Partial dirichlet BCs  : "<<partial<<std::endl;
+    std::cout << GridLogMessage << " Dirichlet BCs          : "<<dirichlet<<std::endl;
+
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force average size "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] :\n\t\t "
+		  <<" force max " << as[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << as[level].actions.at(actionID)->deriv_norm_average()
+		  <<" Fdt max  "  << as[level].actions.at(actionID)->Fdt_max_average()
+		  <<" Fdt norm "  << as[level].actions.at(actionID)->Fdt_norm_average()
+		  <<" calls "     << as[level].actions.at(actionID)->deriv_num
+		  << std::endl;
+      }
+    }
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
+  }
+  
   void print_parameters()
   {
     std::cout << GridLogMessage << "[Integrator] Name : "<< integrator_name() << std::endl;
@@ -224,7 +328,6 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
-
   }
 
   void reverse_momenta()
@@ -249,15 +352,19 @@ public:
   void refresh(Field& U,  GridSerialRNG & sRNG, GridParallelRNG& pRNG) 
   {
     assert(P.Grid() == U.Grid());
-    std::cout << GridLogIntegrator << "Integrator refresh\n";
+    std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
 
+    std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
     FieldImplementation::generate_momenta(P, sRNG, pRNG);
 
     // Update the smeared fields, can be implemented as observer
     // necessary to keep the fields updated even after a reject
     // of the Metropolis
+    std::cout << GridLogIntegrator << "Updating smeared fields" << std::endl;
     Smearer.set_Field(U);
     // Set the (eventual) representations gauge fields
+
+    std::cout << GridLogIntegrator << "Updating representations" << std::endl;
     Representations.update(U);
 
     // The Smearer is attached to a pointer of the gauge field
@@ -267,15 +374,24 @@ public:
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
+	auto name = as[level].actions.at(actionID)->action_name();
+        std::cout << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
+
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
+
+	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] before"<<std::endl;
+
+	as[level].actions.at(actionID)->refresh_timer_start();
         as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
+	as[level].actions.at(actionID)->refresh_timer_stop();
+	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] after"<<std::endl;
+
       }
 
       // Refresh the higher representation actions
       as[level].apply(refresh_hireps, Representations, sRNG, pRNG);
     }
 
-    MomFilter->applyFilter(P);
   }
 
   // to be used by the actionlevel class to iterate
@@ -306,13 +422,17 @@ public:
     // Actions
     for (int level = 0; level < as.size(); ++level) {
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
+	        as[level].actions.at(actionID)->S_timer_start();
         Hterm = as[level].actions.at(actionID)->S(Us);
+   	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
+
       }
       as[level].apply(S_hireps, Representations, level, H);
     }
@@ -320,6 +440,52 @@ public:
     return H;
   }
 
+  struct _Sinitial {
+    template <class FieldType, class Repr>
+    void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep, int level, RealD& H) {
+      
+      for (int a = 0; a < repr_set.size(); ++a) {
+
+        RealD Hterm = repr_set.at(a)->Sinitial(Rep.U);
+
+        std::cout << GridLogMessage << "Sinitial Level " << level << " term " << a << " H Hirep = " << Hterm << std::endl;
+        H += Hterm;
+
+      }
+    }
+  } Sinitial_hireps{};
+
+  RealD Sinitial(Field& U) 
+  {  // here also U not used
+
+    std::cout << GridLogIntegrator << "Integrator initial action\n";
+
+    RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
+
+    RealD Hterm;
+
+    // Actions
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+        // get gauge field from the SmearingPolicy and
+        // based on the boolean is_smeared in actionID
+        Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
+        std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
+	        as[level].actions.at(actionID)->S_timer_start();
+
+        Hterm = as[level].actions.at(actionID)->Sinitial(Us);
+   	        as[level].actions.at(actionID)->S_timer_stop();
+
+        std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
+        H += Hterm;
+      }
+      as[level].apply(Sinitial_hireps, Representations, level, H);
+    }
+
+    return H;
+  }
+
+  
   void integrate(Field& U) 
   {
     // reset the clocks

Grid/qcd/hmc/integrators/Integrator_algorithm.h

@@ -92,10 +92,11 @@ NAMESPACE_BEGIN(Grid);
  *  P 1/2                            P 1/2
  */
 
-template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
+template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
-class LeapFrog : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy> 
+class LeapFrog : public Integrator<FieldImplementation_, SmearingPolicy, RepresentationPolicy> 
 {
 public:
+  typedef FieldImplementation_ FieldImplementation;
   typedef LeapFrog<FieldImplementation, SmearingPolicy, RepresentationPolicy> Algorithm;
   INHERIT_FIELD_TYPES(FieldImplementation);
 
@@ -135,13 +136,14 @@ public:
   }
 };
 
-template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
+template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
-class MinimumNorm2 : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy> 
+class MinimumNorm2 : public Integrator<FieldImplementation_, SmearingPolicy, RepresentationPolicy> 
 {
 private:
   const RealD lambda = 0.1931833275037836;
 
 public:
+  typedef FieldImplementation_ FieldImplementation;
   INHERIT_FIELD_TYPES(FieldImplementation);
 
   MinimumNorm2(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
@@ -192,8 +194,8 @@ public:
   }
 };
 
-template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
+template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
-class ForceGradient : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy> 
+class ForceGradient : public Integrator<FieldImplementation_, SmearingPolicy, RepresentationPolicy> 
 {
 private:
   const RealD lambda = 1.0 / 6.0;
@@ -202,6 +204,7 @@ private:
   const RealD theta = 0.0;
 
 public:
+  typedef FieldImplementation_ FieldImplementation;
   INHERIT_FIELD_TYPES(FieldImplementation);
 
   // Looks like dH scales as dt^4. tested wilson/wilson 2 level.
@@ -227,7 +230,8 @@ public:
     // Presently 4 force evals, and should have 3, so 1.33x too expensive.
     // could reduce this with sloppy CG to perhaps 1.15x too expensive
     // even without prediction.
-    this->update_P(Pfg, Ufg, level, 1.0);
+    this->update_P(Pfg, Ufg, level, fg_dt);
+    Pfg = Pfg*(1.0/fg_dt);
     this->update_U(Pfg, Ufg, fg_dt);
     this->update_P(Ufg, level, ep);
   }

Grid/qcd/modules/Registration.h

@@ -78,13 +78,13 @@ static Registrar<OneFlavourRatioEOFModule<FermionImplementationPolicy>,
 // Now a specific registration with a fermion field
 // here must instantiate CG and CR for every new fermion field type (macro!!)
 
-static Registrar< ConjugateGradientModule<WilsonFermionR::FermionField>,   
+static Registrar< ConjugateGradientModule<WilsonFermionD::FermionField>,   
-                  HMC_SolverModuleFactory<solver_string, WilsonFermionR::FermionField, Serialiser> > __CGWFmodXMLInit("ConjugateGradient"); 
+                  HMC_SolverModuleFactory<solver_string, WilsonFermionD::FermionField, Serialiser> > __CGWFmodXMLInit("ConjugateGradient"); 
 
-static Registrar< BiCGSTABModule<WilsonFermionR::FermionField>,   
+static Registrar< BiCGSTABModule<WilsonFermionD::FermionField>,   
-                  HMC_SolverModuleFactory<solver_string, WilsonFermionR::FermionField, Serialiser> > __BiCGWFmodXMLInit("BiCGSTAB"); 
+                  HMC_SolverModuleFactory<solver_string, WilsonFermionD::FermionField, Serialiser> > __BiCGWFmodXMLInit("BiCGSTAB"); 
-static Registrar< ConjugateResidualModule<WilsonFermionR::FermionField>,   
+static Registrar< ConjugateResidualModule<WilsonFermionD::FermionField>,   
-                  HMC_SolverModuleFactory<solver_string, WilsonFermionR::FermionField, Serialiser> > __CRWFmodXMLInit("ConjugateResidual"); 
+                  HMC_SolverModuleFactory<solver_string, WilsonFermionD::FermionField, Serialiser> > __CRWFmodXMLInit("ConjugateResidual"); 
 
 // add the staggered, scalar versions here
 

Grid/qcd/observables/topological_charge.h

@@ -31,15 +31,16 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
+
 struct TopologySmearingParameters : Serializable {
   GRID_SERIALIZABLE_CLASS_MEMBERS(TopologySmearingParameters,
-				  int, steps,
-				  float, step_size,
 				  int, meas_interval,
-				  float, maxTau);
+				  float, init_step_size,
+				  float, maxTau,
+				  float, tolerance);
 
-  TopologySmearingParameters(int s = 0, float ss = 0.0f, int mi = 0, float mT = 0.0f):
+ TopologySmearingParameters(float ss = 0.0f, int mi = 0, float mT = 0.0f, float tol = 1e-4):
-    steps(s), step_size(ss), meas_interval(mi), maxTau(mT){}
+  init_step_size(ss), meas_interval(mi), maxTau(mT), tolerance(tol){}
 
   template < class ReaderClass >
   TopologySmearingParameters(Reader<ReaderClass>& Reader){
@@ -97,9 +98,9 @@ public:
         
       if (Pars.do_smearing){
 	// using wilson flow by default here
-	WilsonFlow<PeriodicGimplR> WF(Pars.Smearing.steps, Pars.Smearing.step_size, Pars.Smearing.meas_interval);
+	WilsonFlowAdaptive<PeriodicGimplR> WF(Pars.Smearing.init_step_size, Pars.Smearing.maxTau, Pars.Smearing.tolerance, Pars.Smearing.meas_interval);
-	WF.smear_adaptive(Usmear, U, Pars.Smearing.maxTau);
+	WF.smear(Usmear, U);
-	Real T0   = WF.energyDensityPlaquette(Usmear);
+	Real T0   = WF.energyDensityPlaquette(Pars.Smearing.maxTau, Usmear);
 	std::cout << GridLogMessage << std::setprecision(std::numeric_limits<Real>::digits10 + 1)
 		  << "T0                : [ " << traj << " ] "<< T0 << std::endl;
       }

Grid/qcd/smearing/WilsonFlow.h

@@ -7,6 +7,7 @@ Source file: ./lib/qcd/modules/plaquette.h
 Copyright (C) 2017
 
 Author: Guido Cossu <guido.cossu@ed.ac.uk>
+Author: Christopher Kelly <ckelly@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
@@ -32,177 +33,318 @@ directory
 NAMESPACE_BEGIN(Grid);
 
 template <class Gimpl>
-class WilsonFlow: public Smear<Gimpl>{
+class WilsonFlowBase: public Smear<Gimpl>{
-  unsigned int Nstep;
+public:
-  unsigned int measure_interval;
+  //Store generic measurements to take during smearing process using std::function
-  mutable RealD epsilon, taus;
+  typedef std::function<void(int, RealD, const typename Gimpl::GaugeField &)> FunctionType;  //int: step,  RealD: flow time,  GaugeField : the gauge field
 
+protected:
+  std::vector< std::pair<int, FunctionType> > functions; //The int maps to the measurement frequency
 
   mutable WilsonGaugeAction<Gimpl> SG;
    
-  void evolve_step(typename Gimpl::GaugeField&) const;
-  void evolve_step_adaptive(typename Gimpl::GaugeField&, RealD);
-  RealD tau(unsigned int t)const {return epsilon*(t+1.0); }
-
 public:
   INHERIT_GIMPL_TYPES(Gimpl)
 
-  explicit WilsonFlow(unsigned int Nstep, RealD epsilon, unsigned int interval = 1):
+  explicit WilsonFlowBase(unsigned int meas_interval =1):
-  Nstep(Nstep),
-    epsilon(epsilon),
-    measure_interval(interval),
     SG(WilsonGaugeAction<Gimpl>(3.0)) {
     // WilsonGaugeAction with beta 3.0
-    assert(epsilon > 0.0);
+    setDefaultMeasurements(meas_interval);
-    LogMessage();
   }
     
-  void LogMessage() {
+  void resetActions(){ functions.clear(); }
+
+  void addMeasurement(int meas_interval, FunctionType meas){ functions.push_back({meas_interval, meas}); }
+
+  //Set the class to perform the default measurements: 
+  //the plaquette energy density every step
+  //the plaquette topological charge every 'topq_meas_interval' steps
+  //and output to stdout
+  void setDefaultMeasurements(int topq_meas_interval = 1);
+
+  void derivative(GaugeField&, const GaugeField&, const GaugeField&) const override{
+    assert(0);
+    // undefined for WilsonFlow
+  }
+
+  //Compute t^2 <E(t)> for time t from the plaquette
+  static RealD energyDensityPlaquette(const RealD t, const GaugeField& U);
+
+  //Compute t^2 <E(t)> for time t from the 1x1 cloverleaf form
+  //t is the Wilson flow time
+  static RealD energyDensityCloverleaf(const RealD t, const GaugeField& U);
+  
+  //Evolve the gauge field by Nstep steps of epsilon and return the energy density computed every interval steps
+  //The smeared field is output as V
+  std::vector<RealD> flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval = 1);
+
+  //Version that does not return the smeared field
+  std::vector<RealD> flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval = 1);
+
+
+  //Evolve the gauge field by Nstep steps of epsilon and return the Cloverleaf energy density computed every interval steps
+  //The smeared field is output as V
+  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval = 1);
+
+  //Version that does not return the smeared field
+  std::vector<RealD> flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval = 1);
+};
+
+//Basic iterative Wilson flow
+template <class Gimpl>
+class WilsonFlow: public WilsonFlowBase<Gimpl>{
+private:
+  int Nstep; //number of steps
+  RealD epsilon;  //step size
+
+  //Evolve the gauge field by 1 step of size eps and update tau
+  void evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const;
+
+public:
+  INHERIT_GIMPL_TYPES(Gimpl)
+
+  //Integrate the Wilson flow for Nstep steps of size epsilon
+  WilsonFlow(const RealD epsilon, const int Nstep, unsigned int meas_interval = 1): WilsonFlowBase<Gimpl>(meas_interval), Nstep(Nstep), epsilon(epsilon){}
+
+  void smear(GaugeField& out, const GaugeField& in) const override;
+};
+
+//Wilson flow with adaptive step size
+template <class Gimpl>
+class WilsonFlowAdaptive: public WilsonFlowBase<Gimpl>{
+private:
+  RealD init_epsilon; //initial step size
+  RealD maxTau; //integrate to t=maxTau
+  RealD tolerance; //integration error tolerance
+
+  //Evolve the gauge field by 1 step and update tau and the current time step eps
+  //
+  //If the step size eps is too large that a significant integration error results,
+  //the gauge field (U) and tau will not be updated and the function will return 0; eps will be adjusted to a smaller
+  //value for the next iteration.
+  //
+  //For a successful integration step the function will return 1
+  int evolve_step_adaptive(typename Gimpl::GaugeField&U, RealD &tau, RealD &eps) const;
+
+public:
+  INHERIT_GIMPL_TYPES(Gimpl)
+
+  WilsonFlowAdaptive(const RealD init_epsilon, const RealD maxTau, const RealD tolerance, unsigned int meas_interval = 1): 
+  WilsonFlowBase<Gimpl>(meas_interval), init_epsilon(init_epsilon), maxTau(maxTau), tolerance(tolerance){}
+
+  void smear(GaugeField& out, const GaugeField& in) const override;
+};
+
+////////////////////////////////////////////////////////////////////////////////
+// Implementations
+////////////////////////////////////////////////////////////////////////////////
+template <class Gimpl>
+RealD WilsonFlowBase<Gimpl>::energyDensityPlaquette(const RealD t, const GaugeField& U){
+  static WilsonGaugeAction<Gimpl> SG(3.0);
+  return 2.0 * t * t * SG.S(U)/U.Grid()->gSites();
+}
+
+//Compute t^2 <E(t)> for time from the 1x1 cloverleaf form
+template <class Gimpl>
+RealD WilsonFlowBase<Gimpl>::energyDensityCloverleaf(const RealD t, const GaugeField& U){
+  typedef typename Gimpl::GaugeLinkField GaugeMat;
+  typedef typename Gimpl::GaugeField GaugeLorentz;
+
+  assert(Nd == 4);
+  //E = 1/2 tr( F_munu F_munu )
+  //However as  F_numu = -F_munu, only need to sum the trace of the squares of the following 6 field strengths:
+  //F_01 F_02 F_03   F_12 F_13  F_23
+  GaugeMat F(U.Grid());
+  LatticeComplexD R(U.Grid());
+  R = Zero();
+  
+  for(int mu=0;mu<3;mu++){
+    for(int nu=mu+1;nu<4;nu++){
+      WilsonLoops<Gimpl>::FieldStrength(F, U, mu, nu);
+      R = R + trace(F*F);
+    }
+  }
+  ComplexD out = sum(R);
+  out = t*t*out / RealD(U.Grid()->gSites());
+  return -real(out); //minus sign necessary for +ve energy
+}
+
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlowBase<Gimpl>::flowMeasureEnergyDensityPlaquette(GaugeField &V, const GaugeField& U, int measure_interval){
+  std::vector<RealD> out;
+  resetActions();
+  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
+      std::cout << GridLogMessage << "[WilsonFlow] Computing plaquette energy density for step " << step << std::endl;
+      out.push_back( energyDensityPlaquette(t,U) );
+    });      
+  smear(V,U);
+  return out;
+}
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlowBase<Gimpl>::flowMeasureEnergyDensityPlaquette(const GaugeField& U, int measure_interval){
+  GaugeField V(U);
+  return flowMeasureEnergyDensityPlaquette(V,U, measure_interval);
+}
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlowBase<Gimpl>::flowMeasureEnergyDensityCloverleaf(GaugeField &V, const GaugeField& U, int measure_interval){
+  std::vector<RealD> out;
+  resetActions();
+  addMeasurement(measure_interval, [&out](int step, RealD t, const typename Gimpl::GaugeField &U){ 
+      std::cout << GridLogMessage << "[WilsonFlow] Computing Cloverleaf energy density for step " << step << std::endl;
+      out.push_back( energyDensityCloverleaf(t,U) );
+    });      
+  smear(V,U);
+  return out;
+}
+
+template <class Gimpl>
+std::vector<RealD> WilsonFlowBase<Gimpl>::flowMeasureEnergyDensityCloverleaf(const GaugeField& U, int measure_interval){
+  GaugeField V(U);
+  return flowMeasureEnergyDensityCloverleaf(V,U, measure_interval);
+}
+
+template <class Gimpl>
+void WilsonFlowBase<Gimpl>::setDefaultMeasurements(int topq_meas_interval){
+  addMeasurement(1, [](int step, RealD t, const typename Gimpl::GaugeField &U){
+      std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "  << step << "  " << t << "  " << energyDensityPlaquette(t,U) << std::endl;
+    });
+  addMeasurement(topq_meas_interval, [](int step, RealD t, const typename Gimpl::GaugeField &U){
+      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "  << step << "  " << WilsonLoops<Gimpl>::TopologicalCharge(U) << std::endl;
+    });
+}
+
+
+
+template <class Gimpl>
+void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U, RealD &tau) const{
+  GaugeField Z(U.Grid());
+  GaugeField tmp(U.Grid());
+  this->SG.deriv(U, Z);
+  Z *= 0.25;                                  // Z0 = 1/4 * F(U)
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // U = W1 = exp(ep*Z0)*W0
+
+  Z *= -17.0/8.0;
+  this->SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
+  Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // U_= W2 = exp(ep*Z)*W1
+
+  Z *= -4.0/3.0;
+  this->SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
+  Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
+  Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
+  tau += epsilon;
+}
+
+template <class Gimpl>
+void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const{
   std::cout << GridLogMessage
 	    << "[WilsonFlow] Nstep   : " << Nstep << std::endl;
   std::cout << GridLogMessage
 	    << "[WilsonFlow] epsilon : " << epsilon << std::endl;
   std::cout << GridLogMessage
 	    << "[WilsonFlow] full trajectory : " << Nstep * epsilon << std::endl;
-  }
 
-  virtual void smear(GaugeField&, const GaugeField&) const;
-
-  virtual void derivative(GaugeField&, const GaugeField&, const GaugeField&) const {
-    assert(0);
-    // undefined for WilsonFlow
-  }
-
-  void smear_adaptive(GaugeField&, const GaugeField&, RealD maxTau);
-  RealD energyDensityPlaquette(unsigned int step, const GaugeField& U) const;
-  RealD energyDensityPlaquette(const GaugeField& U) const;
-};
-
-
-////////////////////////////////////////////////////////////////////////////////
-// Implementations
-////////////////////////////////////////////////////////////////////////////////
-template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step(typename Gimpl::GaugeField &U) const{
-  GaugeField Z(U.Grid());
-  GaugeField tmp(U.Grid());
-  SG.deriv(U, Z);
-  Z *= 0.25;                                  // Z0 = 1/4 * F(U)
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U = W1 = exp(ep*Z0)*W0
-
-  Z *= -17.0/8.0;
-  SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
-  Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U_= W2 = exp(ep*Z)*W1
-
-  Z *= -4.0/3.0;
-  SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
-  Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
-}
-
-template <class Gimpl>
-void WilsonFlow<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD maxTau) {
-  if (maxTau - taus < epsilon){
-    epsilon = maxTau-taus;
-  }
-  //std::cout << GridLogMessage << "Integration epsilon : " << epsilon << std::endl;
-  GaugeField Z(U.Grid());
-  GaugeField Zprime(U.Grid());
-  GaugeField tmp(U.Grid()), Uprime(U.Grid());
-  Uprime = U;
-  SG.deriv(U, Z);
-  Zprime = -Z;
-  Z *= 0.25;                                  // Z0 = 1/4 * F(U)
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U = W1 = exp(ep*Z0)*W0
-
-  Z *= -17.0/8.0;
-  SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
-  Zprime += 2.0*tmp;
-  Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // U_= W2 = exp(ep*Z)*W1
-    
-
-  Z *= -4.0/3.0;
-  SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
-  Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
-  Gimpl::update_field(Z, U, -2.0*epsilon);    // V(t+e) = exp(ep*Z)*W2
-
-  // Ramos 
-  Gimpl::update_field(Zprime, Uprime, -2.0*epsilon); // V'(t+e) = exp(ep*Z')*W0
-  // Compute distance as norm^2 of the difference
-  GaugeField diffU = U - Uprime;
-  RealD diff = norm2(diffU);
-  // adjust integration step
-    
-  taus += epsilon;
-  //std::cout << GridLogMessage << "Adjusting integration step with distance: " << diff << std::endl;
-    
-  epsilon = epsilon*0.95*std::pow(1e-4/diff,1./3.);
-  //std::cout << GridLogMessage << "New epsilon : " << epsilon << std::endl;
-
-}
-
-template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityPlaquette(unsigned int step, const GaugeField& U) const {
-  RealD td = tau(step);
-  return 2.0 * td * td * SG.S(U)/U.Grid()->gSites();
-}
-
-template <class Gimpl>
-RealD WilsonFlow<Gimpl>::energyDensityPlaquette(const GaugeField& U) const {
-  return 2.0 * taus * taus * SG.S(U)/U.Grid()->gSites();
-}
-
-
-//#define WF_TIMING 
-
-
-
-template <class Gimpl>
-void WilsonFlow<Gimpl>::smear(GaugeField& out, const GaugeField& in) const {
   out = in;
-  for (unsigned int step = 1; step <= Nstep; step++) {
+  RealD taus = 0.;
+  for (unsigned int step = 1; step <= Nstep; step++) { //step indicates the number of smearing steps applied at the time of measurement
     auto start = std::chrono::high_resolution_clock::now();
-    evolve_step(out);
+    evolve_step(out, taus);
     auto end = std::chrono::high_resolution_clock::now();
     std::chrono::duration<double> diff = end - start;
 #ifdef WF_TIMING
     std::cout << "Time to evolve " << diff.count() << " s\n";
 #endif
-    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+    //Perform measurements
-		  << step << "  " << tau(step) << "  " 
+    for(auto const &meas : this->functions)
-	      << energyDensityPlaquette(step,out) << std::endl;
+      if( step % meas.first == 0 ) meas.second(step,taus,out);
-    if( step % measure_interval == 0){
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
   }
+}
+
+
+
+template <class Gimpl>
+int WilsonFlowAdaptive<Gimpl>::evolve_step_adaptive(typename Gimpl::GaugeField &U, RealD &tau, RealD &eps) const{
+  if (maxTau - tau < eps){
+    eps = maxTau-tau;
   }
+  //std::cout << GridLogMessage << "Integration epsilon : " << epsilon << std::endl;
+  GaugeField Z(U.Grid());
+  GaugeField Zprime(U.Grid());
+  GaugeField tmp(U.Grid()), Uprime(U.Grid()), Usave(U.Grid());
+  Uprime = U;
+  Usave = U;
+
+  this->SG.deriv(U, Z);
+  Zprime = -Z;
+  Z *= 0.25;                                  // Z0 = 1/4 * F(U)
+  Gimpl::update_field(Z, U, -2.0*eps);    // U = W1 = exp(ep*Z0)*W0
+
+  Z *= -17.0/8.0;
+  this->SG.deriv(U, tmp); Z += tmp;                 // -17/32*Z0 +Z1
+  Zprime += 2.0*tmp;
+  Z *= 8.0/9.0;                               // Z = -17/36*Z0 +8/9*Z1
+  Gimpl::update_field(Z, U, -2.0*eps);    // U_= W2 = exp(ep*Z)*W1
+    
+
+  Z *= -4.0/3.0;
+  this->SG.deriv(U, tmp); Z += tmp;                 // 4/3*(17/36*Z0 -8/9*Z1) +Z2
+  Z *= 3.0/4.0;                               // Z = 17/36*Z0 -8/9*Z1 +3/4*Z2
+  Gimpl::update_field(Z, U, -2.0*eps);    // V(t+e) = exp(ep*Z)*W2
+
+  // Ramos arXiv:1301.4388
+  Gimpl::update_field(Zprime, Uprime, -2.0*eps); // V'(t+e) = exp(ep*Z')*W0
+
+  // Compute distance using Ramos' definition
+  GaugeField diffU = U - Uprime;
+  RealD max_dist = 0;
+
+  for(int mu=0;mu<Nd;mu++){
+    typename Gimpl::GaugeLinkField diffU_mu = PeekIndex<LorentzIndex>(diffU, mu);
+    RealD dist_mu = sqrt( maxLocalNorm2(diffU_mu) ) /Nc/Nc; //maximize over sites
+    max_dist = std::max(max_dist, dist_mu); //maximize over mu
+  }
+  
+  int ret;
+  if(max_dist < tolerance) {
+    tau += eps;
+    ret = 1;
+  } else {
+    U = Usave;
+    ret = 0;
+  }
+  eps = eps*0.95*std::pow(tolerance/max_dist,1./3.);
+  std::cout << GridLogMessage << "Adaptive smearing : Distance: "<< max_dist <<" Step successful: " << ret << " New epsilon: " << eps << std::endl; 
+
+  return ret;
 }
 
 template <class Gimpl>
-void WilsonFlow<Gimpl>::smear_adaptive(GaugeField& out, const GaugeField& in, RealD maxTau){
+void WilsonFlowAdaptive<Gimpl>::smear(GaugeField& out, const GaugeField& in) const{
+  std::cout << GridLogMessage
+	    << "[WilsonFlow] initial epsilon : " << init_epsilon << std::endl;
+  std::cout << GridLogMessage
+	    << "[WilsonFlow] full trajectory : " << maxTau << std::endl;
+  std::cout << GridLogMessage
+	    << "[WilsonFlow] tolerance   : " << tolerance << std::endl;
   out = in;
-  taus = epsilon;
+  RealD taus = 0.;
+  RealD eps = init_epsilon;
   unsigned int step = 0;
   do{
-    step++;
+    int step_success = evolve_step_adaptive(out, taus, eps); 
-    //std::cout << GridLogMessage << "Evolution time :"<< taus << std::endl;
+    step += step_success; //step will not be incremented if the integration step fails
-    evolve_step_adaptive(out, maxTau);
+
-    std::cout << GridLogMessage << "[WilsonFlow] Energy density (plaq) : "
+    //Perform measurements
-		  << step << "  " << taus << "  "
+    if(step_success)
-	      << energyDensityPlaquette(out) << std::endl;
+      for(auto const &meas : this->functions)
-    if( step % measure_interval == 0){
+	if( step % meas.first == 0 ) meas.second(step,taus,out);
-      std::cout << GridLogMessage << "[WilsonFlow] Top. charge           : "
-		<< step << "  " 
-		<< WilsonLoops<PeriodicGimplR>::TopologicalCharge(out) << std::endl;
-    }
   } while (taus < maxTau);
-
-
-
 }
 
+
+
 NAMESPACE_END(Grid);
 

Grid/qcd/utils/CovariantCshift.h

@@ -88,6 +88,12 @@ namespace PeriodicBC {
     return CovShiftBackward(Link,mu,arg);
   }
 
+  //Boundary-aware C-shift of gauge links / gauge transformation matrices
+  template<class gauge> Lattice<gauge>
+  CshiftLink(const Lattice<gauge> &Link, int mu, int shift)
+  {
+    return Cshift(Link, mu, shift);
+  }
 
 }
 
@@ -158,6 +164,9 @@ namespace ConjugateBC {
     //    std::cout<<"Gparity::CovCshiftBackward mu="<<mu<<std::endl;
     return Cshift(tmp,mu,-1);// moves towards positive mu
   }
+
+  //Out(x) = U^dag_\mu(x-mu)  | x_\mu != 0
+  //       = U^T_\mu(L-1)  | x_\mu == 0
   template<class gauge> Lattice<gauge>
   CovShiftIdentityBackward(const Lattice<gauge> &Link, int mu) {
     GridBase *grid = Link.Grid();
@@ -176,6 +185,9 @@ namespace ConjugateBC {
     return Link;
   }
 
+  //Out(x) = S_\mu(x+\hat\mu)  | x_\mu != L-1
+  //       = S*_\mu(0)  | x_\mu == L-1
+  //Note: While this is used for Staples it is also applicable for shifting gauge links or gauge transformation matrices
   template<class gauge> Lattice<gauge>
   ShiftStaple(const Lattice<gauge> &Link, int mu)
   {
@@ -208,6 +220,47 @@ namespace ConjugateBC {
     return CovShiftBackward(Link,mu,arg);
   }
 
+  //Boundary-aware C-shift of gauge links / gauge transformation matrices
+  //shift = 1
+  //Out(x) = U_\mu(x+\hat\mu)  | x_\mu != L-1
+  //       = U*_\mu(0)  | x_\mu == L-1
+  //shift = -1
+  //Out(x) = U_\mu(x-mu)  | x_\mu != 0
+  //       = U*_\mu(L-1)  | x_\mu == 0
+  //shift = 2
+  //Out(x) = U_\mu(x+2\hat\mu)  | x_\mu < L-2
+  //       = U*_\mu(1)  | x_\mu == L-1
+  //       = U*_\mu(0)  | x_\mu == L-2
+  //shift = -2
+  //Out(x) = U_\mu(x-2mu)  | x_\mu > 1
+  //       = U*_\mu(L-2)  | x_\mu == 0
+  //       = U*_\mu(L-1)  | x_\mu == 1
+  //etc
+  template<class gauge> Lattice<gauge>
+  CshiftLink(const Lattice<gauge> &Link, int mu, int shift)
+  {
+    GridBase *grid = Link.Grid();
+    int Lmu = grid->GlobalDimensions()[mu];
+    assert(abs(shift) < Lmu && "Invalid shift value");
+
+    Lattice<iScalar<vInteger>> coor(grid);
+    LatticeCoordinate(coor, mu);
+
+    Lattice<gauge> tmp(grid);
+    if(shift > 0){
+      tmp = Cshift(Link, mu, shift);
+      tmp = where(coor >= Lmu-shift, conjugate(tmp), tmp);
+      return tmp;
+    }else if(shift < 0){
+      tmp = Link;
+      tmp = where(coor >= Lmu+shift, conjugate(tmp), tmp);
+      return Cshift(tmp, mu, shift);
+    }
+    
+    //shift == 0
+    return Link;
+  }
+
 }
 
 

Grid/qcd/utils/GaugeFix.h

@@ -40,27 +40,45 @@ public:
   typedef typename Gimpl::GaugeLinkField GaugeMat;
   typedef typename Gimpl::GaugeField GaugeLorentz;
 
-  static void GaugeLinkToLieAlgebraField(const std::vector<GaugeMat> &U,std::vector<GaugeMat> &A) {
+  //A_\mu(x) = -i Ta(U_\mu(x) )   where Ta(U) = 1/2( U - U^dag ) - 1/2N tr(U - U^dag)  is the traceless antihermitian part. This is an O(A^3) approximation to the logarithm of U
-    for(int mu=0;mu<Nd;mu++){
+  static void GaugeLinkToLieAlgebraField(const GaugeMat &U, GaugeMat &A) {
     Complex cmi(0.0,-1.0);
-      A[mu] = Ta(U[mu]) * cmi;
+    A = Ta(U) * cmi;
   }
-  }
+  
-  static void DmuAmu(const std::vector<GaugeMat> &A,GaugeMat &dmuAmu,int orthog) {
+  //The derivative of the Lie algebra field
+  static void DmuAmu(const std::vector<GaugeMat> &U, GaugeMat &dmuAmu,int orthog) {
+    GridBase* grid = U[0].Grid();
+    GaugeMat Ax(grid);
+    GaugeMat Axm1(grid);
+    GaugeMat Utmp(grid);
+
     dmuAmu=Zero();
     for(int mu=0;mu<Nd;mu++){
       if ( mu != orthog ) {
-	dmuAmu = dmuAmu + A[mu] - Cshift(A[mu],mu,-1);
+	//Rather than define functionality to work out how the BCs apply to A_\mu we simply use the BC-aware Cshift to the gauge links and compute A_\mu(x) and A_\mu(x-1) separately
+	//Ax = A_\mu(x)
+	GaugeLinkToLieAlgebraField(U[mu], Ax);
+	
+	//Axm1 = A_\mu(x_\mu-1)
+	Utmp = Gimpl::CshiftLink(U[mu], mu, -1);
+	GaugeLinkToLieAlgebraField(Utmp, Axm1);
+	
+	//Derivative
+	dmuAmu = dmuAmu + Ax - Axm1;
       }
     }
   }  
 
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
+  //Fix the gauge field Umu
+  //0 < alpha < 1 is related to the step size, cf https://arxiv.org/pdf/1405.5812.pdf
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
     GridBase *grid = Umu.Grid();
     GaugeMat xform(grid);
     SteepestDescentGaugeFix(Umu,xform,alpha,maxiter,Omega_tol,Phi_tol,Fourier,orthog,err_on_no_converge);
   }
-  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
+  static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,Real alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false,int orthog=-1,bool err_on_no_converge=true) {
+  //Fix the gauge field Umu and also return the gauge transformation from the original gauge field, xform
 
     GridBase *grid = Umu.Grid();
 
@@ -123,28 +141,25 @@ public:
       }
     }
     std::cout << GridLogError << "Gauge fixing did not converge in " << maxiter << " iterations." << std::endl;
-    if (err_on_no_converge) assert(0);
+    if (err_on_no_converge)
+      assert(0 && "Gauge fixing did not converge within the specified number of iterations");
   };
-  static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu,int orthog) {
+  static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform, Real alpha, GaugeMat & dmuAmu,int orthog) {
     GridBase *grid = U[0].Grid();
 
-    std::vector<GaugeMat> A(Nd,grid);
     GaugeMat g(grid);
-
+    ExpiAlphaDmuAmu(U,g,alpha,dmuAmu,orthog);
-    GaugeLinkToLieAlgebraField(U,A);
-    ExpiAlphaDmuAmu(A,g,alpha,dmuAmu,orthog);
-
 
     Real vol = grid->gSites();
     Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
 
     xform = g*xform ;
-    SU<Nc>::GaugeTransform(U,g);
+    SU<Nc>::GaugeTransform<Gimpl>(U,g);
 
     return trG;
   }
 
-  static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu,int orthog) {
+  static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform, Real alpha, GaugeMat & dmuAmu,int orthog) {
 
     GridBase *grid = U[0].Grid();
 
@@ -159,11 +174,7 @@ public:
 
     GaugeMat g(grid);
     GaugeMat dmuAmu_p(grid);
-    std::vector<GaugeMat> A(Nd,grid);
+    DmuAmu(U,dmuAmu,orthog);
-
-    GaugeLinkToLieAlgebraField(U,A);
-
-    DmuAmu(A,dmuAmu,orthog);
 
     std::vector<int> mask(Nd,1);
     for(int mu=0;mu<Nd;mu++) if (mu==orthog) mask[mu]=0;
@@ -207,16 +218,16 @@ public:
     Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
 
     xform = g*xform ;
-    SU<Nc>::GaugeTransform(U,g);
+    SU<Nc>::GaugeTransform<Gimpl>(U,g);
 
     return trG;
   }
 
-  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &A,GaugeMat &g,Real & alpha, GaugeMat &dmuAmu,int orthog) {
+  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &U,GaugeMat &g, Real alpha, GaugeMat &dmuAmu,int orthog) {
     GridBase *grid = g.Grid();
     Complex cialpha(0.0,-alpha);
     GaugeMat ciadmam(grid);
-    DmuAmu(A,dmuAmu,orthog);
+    DmuAmu(U,dmuAmu,orthog);
     ciadmam = dmuAmu*cialpha;
     SU<Nc>::taExp(ciadmam,g);
   }  

Grid/qcd/utils/SUn.h

@@ -615,7 +615,6 @@ public:
     GridBase *grid = out.Grid();
 
     typedef typename LatticeMatrixType::vector_type vector_type;
-    typedef typename LatticeMatrixType::scalar_type scalar_type;
 
     typedef iSinglet<vector_type> vTComplexType;
 
@@ -694,32 +693,32 @@ public:
  * Adjoint rep gauge xform
  */
 
-  template<typename GaugeField,typename GaugeMat>
+  template<typename Gimpl>
-  static void GaugeTransform( GaugeField &Umu, GaugeMat &g){
+  static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
     GridBase *grid = Umu.Grid();
     conformable(grid,g.Grid());
 
-    GaugeMat U(grid);
+    typename Gimpl::GaugeLinkField U(grid);
-    GaugeMat ag(grid); ag = adj(g);
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
 
     for(int mu=0;mu<Nd;mu++){
       U= PeekIndex<LorentzIndex>(Umu,mu);
-      U = g*U*Cshift(ag, mu, 1);
+      U = g*U*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
       PokeIndex<LorentzIndex>(Umu,U,mu);
     }
   }
-  template<typename GaugeMat>
+  template<typename Gimpl>
-  static void GaugeTransform( std::vector<GaugeMat> &U, GaugeMat &g){
+  static void GaugeTransform( std::vector<typename Gimpl::GaugeLinkField> &U, typename Gimpl::GaugeLinkField &g){
     GridBase *grid = g.Grid();
-    GaugeMat ag(grid); ag = adj(g);
+    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
     for(int mu=0;mu<Nd;mu++){
-      U[mu] = g*U[mu]*Cshift(ag, mu, 1);
+      U[mu] = g*U[mu]*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
     }
   }
-  template<typename GaugeField,typename GaugeMat>
+  template<typename Gimpl>
-  static void RandomGaugeTransform(GridParallelRNG &pRNG, GaugeField &Umu, GaugeMat &g){
+  static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
     LieRandomize(pRNG,g,1.0);
-    GaugeTransform(Umu,g);
+    GaugeTransform<Gimpl>(Umu,g);
   }
 
   // Projects the algebra components a lattice matrix (of dimension ncol*ncol -1 )

Grid/qcd/utils/WilsonLoops.h

@@ -125,6 +125,57 @@ public:
     return sumplaq / vol / faces / Nc; // Nd , Nc dependent... FIXME
   }
 
+  //////////////////////////////////////////////////
+  // sum over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static void siteSpatialPlaquette(ComplexField &Plaq,
+                            const std::vector<GaugeMat> &U) {
+    ComplexField sitePlaq(U[0].Grid());
+    Plaq = Zero();
+    for (int mu = 1; mu < Nd-1; mu++) {
+      for (int nu = 0; nu < mu; nu++) {
+        traceDirPlaquette(sitePlaq, U, mu, nu);
+        Plaq = Plaq + sitePlaq;
+      }
+    }
+  }
+
+  ////////////////////////////////////
+  // sum over all x,y,z and over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static std::vector<RealD> timesliceSumSpatialPlaquette(const GaugeLorentz &Umu) {
+    std::vector<GaugeMat> U(Nd, Umu.Grid());
+    // inefficient here
+    for (int mu = 0; mu < Nd; mu++) {
+      U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
+    }
+
+    ComplexField Plaq(Umu.Grid());
+
+    siteSpatialPlaquette(Plaq, U);
+    typedef typename ComplexField::scalar_object sobj;
+    std::vector<sobj> Tq;
+    sliceSum(Plaq, Tq, Nd-1);
+
+    std::vector<Real> out(Tq.size());
+    for(int t=0;t<Tq.size();t++) out[t] = TensorRemove(Tq[t]).real();
+    return out;
+  }
+  
+  //////////////////////////////////////////////////
+  // average over all x,y,z and over all spatial planes of plaquette
+  //////////////////////////////////////////////////
+  static std::vector<RealD> timesliceAvgSpatialPlaquette(const GaugeLorentz &Umu) {
+    std::vector<RealD> sumplaq = timesliceSumSpatialPlaquette(Umu);
+    int Lt = Umu.Grid()->FullDimensions()[Nd-1];
+    assert(sumplaq.size() == Lt);
+    double vol = Umu.Grid()->gSites() / Lt;
+    double faces = (1.0 * (Nd - 1)* (Nd - 2)) / 2.0;
+    for(int t=0;t<Lt;t++)
+      sumplaq[t] = sumplaq[t] / vol / faces / Nc; // Nd , Nc dependent... FIXME
+    return sumplaq;
+  }
+
   //////////////////////////////////////////////////
   // average over all x,y,z the temporal loop
   //////////////////////////////////////////////////
@@ -362,11 +413,11 @@ public:
     GaugeMat u = PeekIndex<LorentzIndex>(Umu, mu);  // some redundant copies
     GaugeMat vu = v*u;
       //FS = 0.25*Ta(u*v + Cshift(vu, mu, -1));
-      FS = (u*v + Cshift(vu, mu, -1));
+      FS = (u*v + Gimpl::CshiftLink(vu, mu, -1));
       FS = 0.125*(FS - adj(FS));
   }
 
-  static Real TopologicalCharge(GaugeLorentz &U){
+  static Real TopologicalCharge(const GaugeLorentz &U){
     // 4d topological charge
     assert(Nd==4);
     // Bx = -iF(y,z), By = -iF(z,y), Bz = -iF(x,y)
@@ -389,6 +440,203 @@ public:
   }
 
 
+  //Clover-leaf Wilson loop combination for arbitrary mu-extent M and nu extent N,  mu >= nu
+  //cf  https://arxiv.org/pdf/hep-lat/9701012.pdf Eq 7  for 1x2 Wilson loop    
+  //Clockwise ordering
+  static void CloverleafMxN(GaugeMat &FS, const GaugeMat &Umu, const GaugeMat &Unu, int mu, int nu, int M, int N){  
+#define Fmu(A) Gimpl::CovShiftForward(Umu, mu, A)
+#define Bmu(A) Gimpl::CovShiftBackward(Umu, mu, A)
+#define Fnu(A) Gimpl::CovShiftForward(Unu, nu, A)
+#define Bnu(A) Gimpl::CovShiftBackward(Unu, nu, A)
+#define FmuI Gimpl::CovShiftIdentityForward(Umu, mu)
+#define BmuI Gimpl::CovShiftIdentityBackward(Umu, mu)
+#define FnuI Gimpl::CovShiftIdentityForward(Unu, nu)
+#define BnuI Gimpl::CovShiftIdentityBackward(Unu, nu)
+
+    //Upper right loop
+    GaugeMat tmp = BmuI;
+    for(int i=1;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+      
+    FS = tmp;
+
+    //Upper left loop
+    tmp = BnuI;
+    for(int j=1;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+      
+    FS = FS + tmp;
+
+    //Lower right loop
+    tmp = FnuI;
+    for(int j=1;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Fmu(tmp);
+      
+    FS = FS + tmp;
+
+    //Lower left loop
+    tmp = FmuI;
+    for(int i=1;i<M;i++)
+      tmp = Fmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Fnu(tmp);
+    for(int i=0;i<M;i++)
+      tmp = Bmu(tmp);
+    for(int j=0;j<N;j++)
+      tmp = Bnu(tmp);
+
+    FS = FS + tmp;
+
+#undef Fmu
+#undef Bmu
+#undef Fnu
+#undef Bnu
+#undef FmuI
+#undef BmuI
+#undef FnuI
+#undef BnuI
+  }
+
+  //Field strength from MxN Wilson loop
+  //Note F_numu = - F_munu
+  static void FieldStrengthMxN(GaugeMat &FS, const GaugeLorentz &U, int mu, int nu, int M, int N){  
+    GaugeMat Umu = PeekIndex<LorentzIndex>(U, mu);
+    GaugeMat Unu = PeekIndex<LorentzIndex>(U, nu);
+    if(M == N){
+      GaugeMat F(Umu.Grid());
+      CloverleafMxN(F, Umu, Unu, mu, nu, M, N);
+      FS = 0.125 * ( F - adj(F) );
+    }else{
+      //Average over both orientations
+      GaugeMat horizontal(Umu.Grid()), vertical(Umu.Grid());
+      CloverleafMxN(horizontal, Umu, Unu, mu, nu, M, N);
+      CloverleafMxN(vertical, Umu, Unu, mu, nu, N, M);
+      FS = 0.0625 * ( horizontal - adj(horizontal) + vertical - adj(vertical) );
+    }
+  }
+
+  //Topological charge contribution from MxN Wilson loops
+  //cf  https://arxiv.org/pdf/hep-lat/9701012.pdf  Eq 6
+  //output is the charge by timeslice: sum over timeslices to obtain the total
+  static std::vector<Real> TimesliceTopologicalChargeMxN(const GaugeLorentz &U, int M, int N){
+    assert(Nd == 4);
+    std::vector<std::vector<GaugeMat*> > F(Nd,std::vector<GaugeMat*>(Nd,nullptr));
+    //Note F_numu = - F_munu
+    //hence we only need to loop over mu,nu,rho,sigma that aren't related by permuting mu,nu  or rho,sigma
+    //Use nu > mu
+    for(int mu=0;mu<Nd-1;mu++){
+      for(int nu=mu+1; nu<Nd; nu++){
+	F[mu][nu] = new GaugeMat(U.Grid());
+	FieldStrengthMxN(*F[mu][nu], U, mu, nu, M, N);
+      }
+    }
+    Real coeff = -1./(32 * M_PI*M_PI * M*M * N*N); //overall sign to match CPS and Grid conventions, possibly related to time direction = 3 vs 0
+
+    static const int combs[3][4] = { {0,1,2,3}, {0,2,1,3}, {0,3,1,2} };
+    static const int signs[3] = { 1, -1, 1 }; //epsilon_{mu nu rho sigma}
+
+    ComplexField fsum(U.Grid());
+    fsum = Zero();
+    for(int c=0;c<3;c++){
+      int mu = combs[c][0], nu = combs[c][1], rho = combs[c][2], sigma = combs[c][3];
+      int eps = signs[c];
+      fsum = fsum + (8. * coeff * eps) * trace( (*F[mu][nu]) * (*F[rho][sigma]) ); 
+    }
+
+    for(int mu=0;mu<Nd-1;mu++)
+      for(int nu=mu+1; nu<Nd; nu++)
+	delete F[mu][nu];
+    
+    typedef typename ComplexField::scalar_object sobj;
+    std::vector<sobj> Tq;
+    sliceSum(fsum, Tq, Nd-1);
+
+    std::vector<Real> out(Tq.size());
+    for(int t=0;t<Tq.size();t++) out[t] = TensorRemove(Tq[t]).real();
+    return out;
+  }
+  static Real TopologicalChargeMxN(const GaugeLorentz &U, int M, int N){
+    std::vector<Real> Tq = TimesliceTopologicalChargeMxN(U,M,N);
+    Real out(0);
+    for(int t=0;t<Tq.size();t++) out += Tq[t];
+    return out;
+  }
+
+  //Generate the contributions to the 5Li topological charge from Wilson loops of the following sizes
+  //Use coefficients from hep-lat/9701012
+  //1x1 : c1=(19.-55.*c5)/9.
+  //2x2 : c2=(1-64.*c5)/9.
+  //1x2 : c3=(-64.+640.*c5)/45.
+  //1x3 : c4=1./5.-2.*c5
+  //3x3 : c5=1./20.
+  //Output array outer index contains the loops in the above order
+  //Inner index is the time coordinate
+  static std::vector<std::vector<Real> > TimesliceTopologicalCharge5LiContributions(const GaugeLorentz &U){
+    static const int exts[5][2] = { {1,1}, {2,2}, {1,2}, {1,3}, {3,3} };       
+    std::vector<std::vector<Real> > out(5);
+    for(int i=0;i<5;i++){	
+      out[i] = TimesliceTopologicalChargeMxN(U,exts[i][0],exts[i][1]);
+    }
+    return out;
+  }   
+
+  static std::vector<Real> TopologicalCharge5LiContributions(const GaugeLorentz &U){   
+    static const int exts[5][2] = { {1,1}, {2,2}, {1,2}, {1,3}, {3,3} };
+    std::vector<Real> out(5);
+    std::cout << GridLogMessage << "Computing topological charge" << std::endl;
+    for(int i=0;i<5;i++){
+      out[i] = TopologicalChargeMxN(U,exts[i][0],exts[i][1]);
+      std::cout << GridLogMessage << exts[i][0] << "x" << exts[i][1] << " Wilson loop contribution " << out[i] << std::endl;
+    }
+    return out;
+  }
+
+  //Compute the 5Li topological charge
+  static std::vector<Real> TimesliceTopologicalCharge5Li(const GaugeLorentz &U){
+    std::vector<std::vector<Real> > loops = TimesliceTopologicalCharge5LiContributions(U);
+
+    double c5=1./20.;
+    double c4=1./5.-2.*c5;
+    double c3=(-64.+640.*c5)/45.;
+    double c2=(1-64.*c5)/9.;
+    double c1=(19.-55.*c5)/9.;
+
+    int Lt = loops[0].size();
+    std::vector<Real> out(Lt,0.);
+    for(int t=0;t<Lt;t++)
+      out[t] += c1*loops[0][t] + c2*loops[1][t] + c3*loops[2][t] + c4*loops[3][t] + c5*loops[4][t];
+    return out;
+  }
+
+  static Real TopologicalCharge5Li(const GaugeLorentz &U){
+    std::vector<Real> Qt = TimesliceTopologicalCharge5Li(U);
+    Real Q = 0.;
+    for(int t=0;t<Qt.size();t++) Q += Qt[t];
+    std::cout << GridLogMessage << "5Li Topological charge: " << Q << std::endl;
+    return Q;
+  }
+
+
+
+
   //////////////////////////////////////////////////////
   // Similar to above for rectangle is required
   //////////////////////////////////////////////////////

Grid/simd/Grid_a64fx-2.h

@@ -501,7 +501,7 @@ struct Conj{
 struct TimesMinusI{
   // Complex
   template <typename T>
-  inline vec<T> operator()(vec<T> a, vec<T> b){
+  inline vec<T> operator()(vec<T> a){
     vec<T> out;
     const vec<typename acle<T>::uint> tbl_swap = acle<T>::tbl_swap();
     svbool_t pg1 = acle<T>::pg1();
@@ -520,7 +520,7 @@ struct TimesMinusI{
 struct TimesI{
   // Complex
   template <typename T>
-  inline vec<T> operator()(vec<T> a, vec<T> b){
+  inline vec<T> operator()(vec<T> a){
     vec<T> out;
     const vec<typename acle<T>::uint> tbl_swap = acle<T>::tbl_swap();
     svbool_t pg1 = acle<T>::pg1();

Grid/simd/Grid_a64fx-fixedsize.h

@@ -418,7 +418,7 @@ struct Conj{
 
 struct TimesMinusI{
   // Complex float
-  inline vecf operator()(vecf a, vecf b){
+  inline vecf operator()(vecf a){
     lutf tbl_swap = acle<float>::tbl_swap();
     pred pg1 = acle<float>::pg1();
     pred pg_odd = acle<float>::pg_odd();
@@ -428,7 +428,7 @@ struct TimesMinusI{
     return svneg_m(a_v, pg_odd, a_v);
   }
   // Complex double
-  inline vecd operator()(vecd a, vecd b){
+  inline vecd operator()(vecd a){
     lutd tbl_swap = acle<double>::tbl_swap();
     pred pg1 = acle<double>::pg1();
     pred pg_odd = acle<double>::pg_odd();
@@ -441,7 +441,7 @@ struct TimesMinusI{
 
 struct TimesI{
   // Complex float
-  inline vecf operator()(vecf a, vecf b){
+  inline vecf operator()(vecf a){
     lutf tbl_swap = acle<float>::tbl_swap();
     pred pg1 = acle<float>::pg1();
     pred pg_even = acle<float>::pg_even();
@@ -451,7 +451,7 @@ struct TimesI{
     return svneg_m(a_v, pg_even, a_v);
   }
   // Complex double
-  inline vecd operator()(vecd a, vecd b){
+  inline vecd operator()(vecd a){
     lutd tbl_swap = acle<double>::tbl_swap();
     pred pg1 = acle<double>::pg1();
     pred pg_even = acle<double>::pg_even();

Grid/simd/Grid_avx.h

@@ -405,12 +405,12 @@ struct Conj{
 
 struct TimesMinusI{
   //Complex single
-  inline __m256 operator()(__m256 in, __m256 ret){
+  inline __m256 operator()(__m256 in){
     __m256 tmp =_mm256_addsub_ps(_mm256_setzero_ps(),in);   // r,-i
     return _mm256_shuffle_ps(tmp,tmp,_MM_SELECT_FOUR_FOUR(2,3,0,1)); //-i,r
   }
   //Complex double
-  inline __m256d operator()(__m256d in, __m256d ret){
+  inline __m256d operator()(__m256d in){
     __m256d tmp = _mm256_addsub_pd(_mm256_setzero_pd(),in); // r,-i
     return _mm256_shuffle_pd(tmp,tmp,0x5);
   }
@@ -418,12 +418,12 @@ struct TimesMinusI{
 
 struct TimesI{
   //Complex single
-  inline __m256 operator()(__m256 in, __m256 ret){
+  inline __m256 operator()(__m256 in){
     __m256 tmp =_mm256_shuffle_ps(in,in,_MM_SELECT_FOUR_FOUR(2,3,0,1)); // i,r
     return _mm256_addsub_ps(_mm256_setzero_ps(),tmp);          // i,-r
   }
   //Complex double
-  inline __m256d operator()(__m256d in, __m256d ret){
+  inline __m256d operator()(__m256d in){
     __m256d tmp = _mm256_shuffle_pd(in,in,0x5);
     return _mm256_addsub_pd(_mm256_setzero_pd(),tmp); // i,-r
   }

Grid/simd/Grid_avx512.h

@@ -271,14 +271,14 @@ struct Conj{
 
 struct TimesMinusI{
   //Complex single
-  inline __m512 operator()(__m512 in, __m512 ret){
+  inline __m512 operator()(__m512 in){
     //__m512 tmp = _mm512_mask_sub_ps(in,0xaaaa,_mm512_setzero_ps(),in); // real -imag 
     //return _mm512_shuffle_ps(tmp,tmp,_MM_SELECT_FOUR_FOUR(2,3,1,0));   // 0x4E??
     __m512 tmp = _mm512_shuffle_ps(in,in,_MM_SELECT_FOUR_FOUR(2,3,0,1));
     return _mm512_mask_sub_ps(tmp,0xaaaa,_mm512_setzero_ps(),tmp);
   }
   //Complex double
-  inline __m512d operator()(__m512d in, __m512d ret){
+  inline __m512d operator()(__m512d in){
     //__m512d tmp = _mm512_mask_sub_pd(in,0xaa,_mm512_setzero_pd(),in); // real -imag 
     //return _mm512_shuffle_pd(tmp,tmp,0x55);
     __m512d tmp = _mm512_shuffle_pd(in,in,0x55);
@@ -288,17 +288,16 @@ struct TimesMinusI{
 
 struct TimesI{
   //Complex single
-  inline __m512 operator()(__m512 in, __m512 ret){
+  inline __m512 operator()(__m512 in){
     __m512 tmp = _mm512_shuffle_ps(in,in,_MM_SELECT_FOUR_FOUR(2,3,0,1));
     return _mm512_mask_sub_ps(tmp,0x5555,_mm512_setzero_ps(),tmp); 
   }
   //Complex double
-  inline __m512d operator()(__m512d in, __m512d ret){
+  inline __m512d operator()(__m512d in){
     __m512d tmp = _mm512_shuffle_pd(in,in,0x55);
     return _mm512_mask_sub_pd(tmp,0x55,_mm512_setzero_pd(),tmp); 
   }
 
-
 };
   
 // Gpermute utilities consider coalescing into 1 Gpermute

Grid/simd/Grid_doubled_vector.h

@@ -0,0 +1,666 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid
+
+    Source file: ./lib/simd/Grid_vector_types.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 <class Scalar_type, class Vector_type>
+class Grid_simd2 {
+public:
+  typedef typename RealPart<Scalar_type>::type Real;
+  typedef Vector_type vector_type;
+  typedef Scalar_type scalar_type;
+
+  typedef union conv_t_union {
+    Vector_type v;
+    Scalar_type s[sizeof(Vector_type) / sizeof(Scalar_type)];
+    accelerator_inline conv_t_union(){};
+  } conv_t;
+
+  static constexpr int nvec=2;
+  Vector_type v[nvec];
+
+  static accelerator_inline constexpr int Nsimd(void) {
+    static_assert( (sizeof(Vector_type) / sizeof(Scalar_type) >= 1), " size mismatch " );
+    
+    return nvec*sizeof(Vector_type) / sizeof(Scalar_type);
+  }
+  
+  accelerator_inline Grid_simd2 &operator=(const Grid_simd2 &&rhs) {
+    for(int n=0;n<nvec;n++) v[n] = rhs.v[n];
+    return *this;
+  };
+  accelerator_inline Grid_simd2 &operator=(const Grid_simd2 &rhs) {
+    for(int n=0;n<nvec;n++) v[n] = rhs.v[n];
+    return *this;
+  };  // faster than not declaring it and leaving to the compiler
+
+  accelerator Grid_simd2() = default;
+  accelerator_inline Grid_simd2(const Grid_simd2 &rhs) {    for(int n=0;n<nvec;n++) v[n] = rhs.v[n];  };
+  accelerator_inline Grid_simd2(const Grid_simd2 &&rhs){    for(int n=0;n<nvec;n++) v[n] = rhs.v[n];  };
+  accelerator_inline Grid_simd2(const Real a) { vsplat(*this, Scalar_type(a)); };
+  // Enable if complex type
+  template <typename S = Scalar_type> accelerator_inline
+  Grid_simd2(const typename std::enable_if<is_complex<S>::value, S>::type a) {
+      vsplat(*this, a);
+  };
+
+  /////////////////////////////
+  // Constructors
+  /////////////////////////////
+  accelerator_inline Grid_simd2 &  operator=(const Zero &z) {
+    vzero(*this);
+    return (*this);
+  }
+
+  ///////////////////////////////////////////////
+  // mac, mult, sub, add, adj
+  ///////////////////////////////////////////////
+
+  friend accelerator_inline void mac(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ a,
+				     const Grid_simd2 *__restrict__ x) {
+    *y = (*a) * (*x) + (*y);
+  };
+
+  friend accelerator_inline void mult(Grid_simd2 *__restrict__ y,
+				      const Grid_simd2 *__restrict__ l,
+				      const Grid_simd2 *__restrict__ r) {
+    *y = (*l) * (*r);
+  }
+
+  friend accelerator_inline void sub(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ l,
+				     const Grid_simd2 *__restrict__ r) {
+    *y = (*l) - (*r);
+  }
+  friend accelerator_inline void add(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ l,
+				     const Grid_simd2 *__restrict__ r) {
+    *y = (*l) + (*r);
+  }
+  friend accelerator_inline void mac(Grid_simd2 *__restrict__ y,
+				     const Scalar_type *__restrict__ a,
+				     const Grid_simd2 *__restrict__ x) {
+    *y = (*a) * (*x) + (*y);
+  };
+  friend accelerator_inline void mult(Grid_simd2 *__restrict__ y,
+				      const Scalar_type *__restrict__ l,
+				      const Grid_simd2 *__restrict__ r) {
+    *y = (*l) * (*r);
+  }
+  friend accelerator_inline void sub(Grid_simd2 *__restrict__ y,
+				     const Scalar_type *__restrict__ l,
+				     const Grid_simd2 *__restrict__ r) {
+    *y = (*l) - (*r);
+  }
+  friend accelerator_inline void add(Grid_simd2 *__restrict__ y,
+				     const Scalar_type *__restrict__ l,
+				     const Grid_simd2 *__restrict__ r) {
+    *y = (*l) + (*r);
+  }
+
+  friend accelerator_inline void mac(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ a,
+				     const Scalar_type *__restrict__ x) {
+    *y = (*a) * (*x) + (*y);
+  };
+  friend accelerator_inline void mult(Grid_simd2 *__restrict__ y,
+				      const Grid_simd2 *__restrict__ l,
+				      const Scalar_type *__restrict__ r) {
+    *y = (*l) * (*r);
+  }
+  friend accelerator_inline void sub(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ l,
+				     const Scalar_type *__restrict__ r) {
+    *y = (*l) - (*r);
+  }
+  friend accelerator_inline void add(Grid_simd2 *__restrict__ y,
+				     const Grid_simd2 *__restrict__ l,
+				     const Scalar_type *__restrict__ r) {
+    *y = (*l) + (*r);
+  }
+
+  ////////////////////////////////////////////////////////////////////////
+  // FIXME:  gonna remove these load/store, get, set, prefetch
+  ////////////////////////////////////////////////////////////////////////
+  friend accelerator_inline void vset(Grid_simd2 &ret, Scalar_type *a) {
+    for(int n=0;n<nvec;n++) vset(ret.v[n],a);
+  }
+
+  ///////////////////////
+  // Vstore
+  ///////////////////////
+  friend accelerator_inline void vstore(const Grid_simd2 &ret, Scalar_type *a) {
+    for(int n=0;n<nvec;n++) vstore(ret.v[n],a);
+  }
+
+  ///////////////////////
+  // Vprefetch
+  ///////////////////////
+  friend accelerator_inline void vprefetch(const Grid_simd2 &v) {
+    vprefetch(v.v[0]);
+  }
+
+  ///////////////////////
+  // Reduce
+  ///////////////////////
+  friend accelerator_inline Scalar_type Reduce(const Grid_simd2 &in) {
+    return Reduce(in.v[0])+ Reduce(in.v[1]);
+  }
+
+  ////////////////////////////
+  // operator scalar * simd
+  ////////////////////////////
+  friend accelerator_inline Grid_simd2 operator*(const Scalar_type &a, Grid_simd2 b) {
+    Grid_simd2 va;
+    vsplat(va, a);
+    return va * b;
+  }
+  friend accelerator_inline Grid_simd2 operator*(Grid_simd2 b, const Scalar_type &a) {
+    return a * b;
+  }
+
+  //////////////////////////////////
+  // Divides
+  //////////////////////////////////
+  friend accelerator_inline Grid_simd2 operator/(const Scalar_type &a, Grid_simd2 b) {
+    Grid_simd2 va;
+    vsplat(va, a);
+    return va / b;
+  }
+  friend accelerator_inline Grid_simd2 operator/(Grid_simd2 b, const Scalar_type &a) {
+    Grid_simd2 va;
+    vsplat(va, a);
+    return b / a;
+  }
+
+  ///////////////////////
+  // Unary negation
+  ///////////////////////
+  friend accelerator_inline Grid_simd2 operator-(const Grid_simd2 &r) {
+    Grid_simd2 ret;
+    vzero(ret);
+    ret = ret - r;
+    return ret;
+  }
+  // *=,+=,-= operators
+  accelerator_inline Grid_simd2 &operator*=(const Grid_simd2 &r) {
+    *this = (*this) * r;
+    return *this;
+  }
+  accelerator_inline Grid_simd2 &operator+=(const Grid_simd2 &r) {
+    *this = *this + r;
+    return *this;
+  }
+  accelerator_inline Grid_simd2 &operator-=(const Grid_simd2 &r) {
+    *this = *this - r;
+    return *this;
+  }
+
+  ///////////////////////////////////////
+  // Not all functions are supported
+  // through SIMD and must breakout to
+  // scalar type and back again. This
+  // provides support
+  ///////////////////////////////////////
+  template <class functor>
+  friend accelerator_inline Grid_simd2 SimdApply(const functor &func, const Grid_simd2 &v) {
+    Grid_simd2 ret;
+    for(int n=0;n<nvec;n++){
+      ret.v[n]=SimdApply(func,v.v[n]);
+    }
+    return ret;
+  }
+  template <class functor>
+  friend accelerator_inline Grid_simd2 SimdApplyBinop(const functor &func,
+                                         const Grid_simd2 &x,
+                                         const Grid_simd2 &y) {
+    Grid_simd2 ret;
+    for(int n=0;n<nvec;n++){
+      ret.v[n]=SimdApplyBinop(func,x.v[n],y.v[n]);
+    }
+    return ret;
+  }
+  ///////////////////////
+  // Exchange
+  // Al Ah , Bl Bh -> Al Bl Ah,Bh
+  ///////////////////////
+  friend accelerator_inline void exchange0(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2){
+      out1.v[0] = in1.v[0];
+      out1.v[1] = in2.v[0];
+      out2.v[0] = in1.v[1];
+      out2.v[1] = in2.v[1];
+  }
+  friend accelerator_inline void exchange1(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2){
+    exchange0(out1.v[0],out2.v[0],in1.v[0],in2.v[0]);
+    exchange0(out1.v[1],out2.v[1],in1.v[1],in2.v[1]);
+  }
+  friend accelerator_inline void exchange2(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2){
+    exchange1(out1.v[0],out2.v[0],in1.v[0],in2.v[0]);
+    exchange1(out1.v[1],out2.v[1],in1.v[1],in2.v[1]);
+  }
+  friend accelerator_inline void exchange3(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2){
+    exchange2(out1.v[0],out2.v[0],in1.v[0],in2.v[0]);
+    exchange2(out1.v[1],out2.v[1],in1.v[1],in2.v[1]);
+  }
+  friend accelerator_inline void exchange4(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2){
+    exchange3(out1.v[0],out2.v[0],in1.v[0],in2.v[0]);
+    exchange3(out1.v[1],out2.v[1],in1.v[1],in2.v[1]);
+  }
+  friend accelerator_inline void exchange(Grid_simd2 &out1,Grid_simd2 &out2,Grid_simd2 in1,Grid_simd2 in2,int n)
+  {
+    if       (n==3) {
+      exchange3(out1,out2,in1,in2);
+    } else if(n==2) {
+      exchange2(out1,out2,in1,in2);
+    } else if(n==1) {
+      exchange1(out1,out2,in1,in2);
+    } else if(n==0) {
+      exchange0(out1,out2,in1,in2);
+    }
+  }
+  ////////////////////////////////////////////////////////////////////
+  // General permute; assumes vector length is same across
+  // all subtypes; may not be a good assumption, but could
+  // add the vector width as a template param for BG/Q for example
+  ////////////////////////////////////////////////////////////////////
+  friend accelerator_inline void permute0(Grid_simd2 &y, Grid_simd2 b) {
+    y.v[0]=b.v[1];
+    y.v[1]=b.v[0];
+  }
+  friend accelerator_inline void permute1(Grid_simd2 &y, Grid_simd2 b) {
+    permute0(y.v[0],b.v[0]);
+    permute0(y.v[1],b.v[1]);
+  }
+  friend accelerator_inline void permute2(Grid_simd2 &y, Grid_simd2 b) {
+    permute1(y.v[0],b.v[0]);
+    permute1(y.v[1],b.v[1]);
+  }
+  friend accelerator_inline void permute3(Grid_simd2 &y, Grid_simd2 b) {
+    permute2(y.v[0],b.v[0]);
+    permute2(y.v[1],b.v[1]);
+  }
+  friend accelerator_inline void permute4(Grid_simd2 &y, Grid_simd2 b) {
+    permute3(y.v[0],b.v[0]);
+    permute3(y.v[1],b.v[1]);
+  }
+  friend accelerator_inline void permute(Grid_simd2 &y, Grid_simd2 b, int perm) {
+    if(perm==3) permute3(y, b);
+    else if(perm==2) permute2(y, b);
+    else if(perm==1) permute1(y, b);
+    else if(perm==0) permute0(y, b);
+  }
+
+  ///////////////////////////////
+  // Getting single lanes
+  ///////////////////////////////
+  accelerator_inline Scalar_type getlane(int lane) const {
+    if(lane < vector_type::Nsimd() ) return v[0].getlane(lane);
+    else                             return v[1].getlane(lane%vector_type::Nsimd());
+  }
+
+  accelerator_inline void putlane(const Scalar_type &S, int lane){
+    if(lane < vector_type::Nsimd() ) v[0].putlane(S,lane);
+    else                             v[1].putlane(S,lane%vector_type::Nsimd());
+  }
+};  // end of Grid_simd2 class definition
+
+///////////////////////////////
+// Define available types
+///////////////////////////////
+
+typedef Grid_simd2<complex<double>  , vComplexD>  vComplexD2;
+typedef Grid_simd2<double           , vRealD>     vRealD2;
+
+
+
+/////////////////////////////////////////
+// Some traits to recognise the types
+/////////////////////////////////////////
+template <typename T>
+struct is_simd : public std::false_type {};
+template <> struct is_simd<vRealF>     : public std::true_type {};
+template <> struct is_simd<vRealD>     : public std::true_type {};
+template <> struct is_simd<vRealH>     : public std::true_type {};
+template <> struct is_simd<vComplexF>  : public std::true_type {};
+template <> struct is_simd<vComplexD>  : public std::true_type {};
+template <> struct is_simd<vComplexH>  : public std::true_type {};
+template <> struct is_simd<vInteger>   : public std::true_type {};
+template <> struct is_simd<vRealD2>    : public std::true_type {};
+template <> struct is_simd<vComplexD2> : public std::true_type {};
+
+template <typename T> using IfSimd    = Invoke<std::enable_if<is_simd<T>::value, int> >;
+template <typename T> using IfNotSimd = Invoke<std::enable_if<!is_simd<T>::value, unsigned> >;
+
+///////////////////////////////////////////////
+// insert / extract with complex support
+///////////////////////////////////////////////
+template <class S, class V>
+accelerator_inline S getlane(const Grid_simd<S, V> &in,int lane) {
+  return in.getlane(lane);
+}
+template <class S, class V>
+accelerator_inline void putlane(Grid_simd<S, V> &vec,const S &_S, int lane){
+  vec.putlane(_S,lane);
+}
+template <class S,IfNotSimd<S> = 0 >
+accelerator_inline S getlane(const S &in,int lane) {
+  return in;
+}
+template <class S,IfNotSimd<S> = 0 >
+accelerator_inline void putlane(S &vec,const S &_S, int lane){
+  vec = _S;
+}
+template <class S, class V>
+accelerator_inline S getlane(const Grid_simd2<S, V> &in,int lane) {
+  return in.getlane(lane);
+}
+template <class S, class V>
+accelerator_inline void putlane(Grid_simd2<S, V> &vec,const S &_S, int lane){
+  vec.putlane(_S,lane);
+}
+
+
+////////////////////////////////////////////////////////////////////
+// General rotate
+////////////////////////////////////////////////////////////////////
+
+template <class S, class V>
+accelerator_inline void vbroadcast(Grid_simd2<S,V> &ret,const Grid_simd2<S,V> &src,int lane){
+  S* typepun =(S*) &src;
+  vsplat(ret,typepun[lane]);
+}
+template <class S, class V, IfComplex<S> =0>
+accelerator_inline void rbroadcast(Grid_simd2<S,V> &ret,const Grid_simd2<S,V> &src,int lane){
+  typedef typename V::vector_type vector_type;
+  S* typepun =(S*) &src;
+  ret.v[0].v = unary<vector_type>(real(typepun[lane]), VsplatSIMD());
+  ret.v[1].v = unary<vector_type>(real(typepun[lane]), VsplatSIMD());
+}
+
+
+///////////////////////
+// Splat
+///////////////////////
+
+// this is only for the complex version
+template <class S, class V, IfComplex<S> = 0, class ABtype>
+accelerator_inline void vsplat(Grid_simd2<S, V> &ret, ABtype a, ABtype b) {
+  vsplat(ret.v[0],a,b);
+  vsplat(ret.v[1],a,b);
+}
+
+// overload if complex
+template <class S, class V>
+accelerator_inline void vsplat(Grid_simd2<S, V> &ret, EnableIf<is_complex<S>, S> c) {
+  vsplat(ret, real(c), imag(c));
+}
+template <class S, class V>
+accelerator_inline void rsplat(Grid_simd2<S, V> &ret, EnableIf<is_complex<S>, S> c) {
+  vsplat(ret, real(c), real(c));
+}
+
+// if real fill with a, if complex fill with a in the real part (first function
+// above)
+template <class S, class V>
+accelerator_inline void vsplat(Grid_simd2<S, V> &ret, NotEnableIf<is_complex<S>, S> a)
+{
+  vsplat(ret.v[0],a);
+  vsplat(ret.v[1],a);
+}
+//////////////////////////
+
+///////////////////////////////////////////////
+// Initialise to 1,0,i for the correct types
+///////////////////////////////////////////////
+// For complex types
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void vone(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(1.0, 0.0));
+}
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void vzero(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(0.0, 0.0));
+}  // use xor?
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void vcomplex_i(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(0.0, 1.0));
+}
+
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void visign(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(1.0, -1.0));
+}
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void vrsign(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(-1.0, 1.0));
+}
+
+// if not complex overload here
+template <class S, class V, IfReal<S> = 0>
+accelerator_inline void vone(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(1.0));
+}
+template <class S, class V, IfReal<S> = 0>
+accelerator_inline void vzero(Grid_simd2<S, V> &ret) {
+  vsplat(ret, S(0.0));
+}
+
+// For integral types
+template <class S, class V, IfInteger<S> = 0>
+accelerator_inline void vone(Grid_simd2<S, V> &ret) {
+  vsplat(ret, 1);
+}
+template <class S, class V, IfInteger<S> = 0>
+accelerator_inline void vzero(Grid_simd2<S, V> &ret) {
+  vsplat(ret, 0);
+}
+template <class S, class V, IfInteger<S> = 0>
+accelerator_inline void vtrue(Grid_simd2<S, V> &ret) {
+  vsplat(ret, 0xFFFFFFFF);
+}
+template <class S, class V, IfInteger<S> = 0>
+accelerator_inline void vfalse(Grid_simd2<S, V> &ret) {
+  vsplat(ret, 0);
+}
+template <class S, class V>
+accelerator_inline void zeroit(Grid_simd2<S, V> &z) {
+  vzero(z);
+}
+
+///////////////////////
+// Vstream
+///////////////////////
+template <class S, class V, IfReal<S> = 0>
+accelerator_inline void vstream(Grid_simd2<S, V> &out, const Grid_simd2<S, V> &in) {
+  vstream(out.v[0],in.v[0]);
+  vstream(out.v[1],in.v[1]);
+}
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline void vstream(Grid_simd2<S, V> &out, const Grid_simd2<S, V> &in) {
+  vstream(out.v[0],in.v[0]);
+  vstream(out.v[1],in.v[1]);
+}
+template <class S, class V, IfInteger<S> = 0>
+accelerator_inline void vstream(Grid_simd2<S, V> &out, const Grid_simd2<S, V> &in) {
+  vstream(out.v[0],in.v[0]);
+  vstream(out.v[1],in.v[1]);
+}
+
+////////////////////////////////////
+// Arithmetic operator overloads +,-,*
+////////////////////////////////////
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> operator+(Grid_simd2<S, V> a, Grid_simd2<S, V> b) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] = a.v[0]+b.v[0];
+  ret.v[1] = a.v[1]+b.v[1];
+  return ret;
+};
+
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> operator-(Grid_simd2<S, V> a, Grid_simd2<S, V> b) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] = a.v[0]-b.v[0];
+  ret.v[1] = a.v[1]-b.v[1];
+  return ret;
+};
+
+// Distinguish between complex types and others
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline Grid_simd2<S, V> real_mult(Grid_simd2<S, V> a, Grid_simd2<S, V> b) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] =real_mult(a.v[0],b.v[0]);
+  ret.v[1] =real_mult(a.v[1],b.v[1]);
+  return ret;
+};
+template <class S, class V, IfComplex<S> = 0>
+accelerator_inline Grid_simd2<S, V> real_madd(Grid_simd2<S, V> a, Grid_simd2<S, V> b, Grid_simd2<S,V> c) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] =real_madd(a.v[0],b.v[0],c.v[0]);
+  ret.v[1] =real_madd(a.v[1],b.v[1],c.v[1]);
+  return ret;
+};
+
+
+// Distinguish between complex types and others
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> operator*(Grid_simd2<S, V> a, Grid_simd2<S, V> b) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] = a.v[0]*b.v[0];
+  ret.v[1] = a.v[1]*b.v[1];
+  return ret;
+};
+
+// Distinguish between complex types and others
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> operator/(Grid_simd2<S, V> a, Grid_simd2<S, V> b) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] = a.v[0]/b.v[0];
+  ret.v[1] = a.v[1]/b.v[1];
+  return ret;
+};
+
+///////////////////////
+// Conjugate
+///////////////////////
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> conjugate(const Grid_simd2<S, V> &in) {
+  Grid_simd2<S, V> ret;
+  ret.v[0] = conjugate(in.v[0]);
+  ret.v[1] = conjugate(in.v[1]);
+  return ret;
+}
+template <class S, class V, IfNotInteger<S> = 0>
+accelerator_inline Grid_simd2<S, V> adj(const Grid_simd2<S, V> &in) {
+  return conjugate(in);
+}
+
+///////////////////////
+// timesMinusI
+///////////////////////
+template <class S, class V>
+accelerator_inline void timesMinusI(Grid_simd2<S, V> &ret, const Grid_simd2<S, V> &in) {
+  timesMinusI(ret.v[0],in.v[0]);
+  timesMinusI(ret.v[1],in.v[1]);
+}
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> timesMinusI(const Grid_simd2<S, V> &in) {
+  Grid_simd2<S, V> ret;
+  timesMinusI(ret.v[0],in.v[0]);
+  timesMinusI(ret.v[1],in.v[1]);
+  return ret;
+}
+
+///////////////////////
+// timesI
+///////////////////////
+template <class S, class V>
+accelerator_inline void timesI(Grid_simd2<S, V> &ret, const Grid_simd2<S, V> &in) {
+  timesI(ret.v[0],in.v[0]);
+  timesI(ret.v[1],in.v[1]);
+}
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> timesI(const Grid_simd2<S, V> &in) {
+  Grid_simd2<S, V> ret;
+  timesI(ret.v[0],in.v[0]);
+  timesI(ret.v[1],in.v[1]);
+  return ret;
+}
+
+/////////////////////
+// Inner, outer
+/////////////////////
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> innerProduct(const Grid_simd2<S, V> &l,const Grid_simd2<S, V> &r) {
+  return conjugate(l) * r;
+}
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> outerProduct(const Grid_simd2<S, V> &l,const Grid_simd2<S, V> &r) {
+  return l * conjugate(r);
+}
+
+template <class S, class V>
+accelerator_inline Grid_simd2<S, V> trace(const Grid_simd2<S, V> &arg) {
+  return arg;
+}
+
+////////////////////////////////////////////////////////////
+// copy/splat complex real parts into real;
+// insert real into complex and zero imag;
+////////////////////////////////////////////////////////////
+accelerator_inline void precisionChange(vComplexD2 &out,const vComplexF  &in){
+  Optimization::PrecisionChange::StoD(in.v,out.v[0].v,out.v[1].v);
+}
+accelerator_inline void precisionChange(vComplexF  &out,const vComplexD2 &in){
+  out.v=Optimization::PrecisionChange::DtoS(in.v[0].v,in.v[1].v);
+}
+accelerator_inline void precisionChange(vComplexD2 *out,const vComplexF  *in,int nvec){
+  for(int m=0;m<nvec;m++){ precisionChange(out[m],in[m]); }
+}
+accelerator_inline void precisionChange(vComplexF  *out,const vComplexD2 *in,int nvec){
+  for(int m=0;m<nvec;m++){ precisionChange(out[m],in[m]); }
+}
+
+accelerator_inline void precisionChange(vRealD2 &out,const vRealF  &in){
+  Optimization::PrecisionChange::StoD(in.v,out.v[0].v,out.v[1].v);
+}
+accelerator_inline void precisionChange(vRealF  &out,const vRealD2 &in){
+  out.v=Optimization::PrecisionChange::DtoS(in.v[0].v,in.v[1].v);
+}
+accelerator_inline void precisionChange(vRealD2 *out,const vRealF  *in,int nvec){
+  for(int m=0;m<nvec;m++){ precisionChange(out[m],in[m]); }
+}
+accelerator_inline void precisionChange(vRealF  *out,const vRealD2 *in,int nvec){
+  for(int m=0;m<nvec;m++){ precisionChange(out[m],in[m]); }
+}
+
+NAMESPACE_END(Grid);
+
+