Test_evec_compression changes:

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

Grid/DisableWarnings.h

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

Grid/GridQCDcore.h

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

Grid/algorithms/Algorithms.h

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

Grid/algorithms/approx/Chebyshev.h

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

Grid/algorithms/iterative/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;
@@ -80,6 +82,11 @@ NAMESPACE_BEGIN(Grid);
     RealD stop = src_norm * Tolerance*Tolerance;
 
     GridBase* DoublePrecGrid = src_d_in.Grid();
+
+    //Generate precision change workspaces
+    precisionChangeWorkspace wk_dp_from_sp(DoublePrecGrid, SinglePrecGrid);
+    precisionChangeWorkspace wk_sp_from_dp(SinglePrecGrid, DoublePrecGrid);
+
     FieldD tmp_d(DoublePrecGrid);
     tmp_d.Checkerboard() = cb;
     
@@ -97,6 +104,7 @@ NAMESPACE_BEGIN(Grid);
     FieldF sol_f(SinglePrecGrid);
     sol_f.Checkerboard() = cb;
     
+    std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Starting initial inner CG with tolerance " << inner_tol << std::endl;
     ConjugateGradient<FieldF> CG_f(inner_tol, MaxInnerIterations);
     CG_f.ErrorOnNoConverge = false;
 
@@ -120,7 +128,7 @@ NAMESPACE_BEGIN(Grid);
       while(norm * inner_tol * inner_tol < stop) inner_tol *= 2;  // inner_tol = sqrt(stop/norm) ??
 
       PrecChangeTimer.Start();
-      precisionChange(src_f, src_d);
+      precisionChange(src_f, src_d, wk_sp_from_dp);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -130,6 +138,7 @@ NAMESPACE_BEGIN(Grid);
 	(*guesser)(src_f, sol_f);
 
       //Inner CG
+      std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Outer iteration " << outer_iter << " starting inner CG with tolerance " << inner_tol << std::endl;
       CG_f.Tolerance = inner_tol;
       InnerCGtimer.Start();
       CG_f(Linop_f, src_f, sol_f);
@@ -138,7 +147,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f);
+      precisionChange(tmp_d, sol_f, wk_dp_from_sp);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -150,6 +159,7 @@ NAMESPACE_BEGIN(Grid);
     ConjugateGradient<FieldD> CG_d(Tolerance, MaxInnerIterations);
     CG_d(Linop_d, src_d_in, sol_d);
     TotalFinalStepIterations = CG_d.IterationsToComplete;
+    TrueResidual = CG_d.TrueResidual;
 
     TotalTimer.Stop();
     std::cout<<GridLogMessage<<"MixedPrecisionConjugateGradient: Inner CG iterations " << TotalInnerIterations << " Restarts " << TotalOuterIterations << " Final CG iterations " << TotalFinalStepIterations << std::endl;

Grid/algorithms/iterative/ConjugateGradientMultiShift.h

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

Grid/algorithms/iterative/ConjugateGradientMultiShiftMixedPrec.h

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

Grid/algorithms/iterative/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,
@@ -155,6 +156,7 @@ public:
       _coarse_relax_tol(coarse_relax_tol)  
   {    };
 
+  //evalMaxApprox: approximation of largest eval of the fine Chebyshev operator (suitably wrapped by block projection)
   int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
   {
     CoarseField v(B);
@@ -181,8 +183,16 @@ public:
     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 +211,13 @@ public:
     eval   = vnum/vden;
     fv -= eval*fB;
     RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     
     std::cout.precision(13);
     std::cout<<GridLogIRL  << "[" << std::setw(3)<<j<<"] "
 	     <<"eval = "<<std::setw(25)<< eval << " (" << eval_poly << ")"
-	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv << " target " << eresid*eresid
 	     <<std::endl;
-    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     if( (vv<eresid*eresid) ) return 1;
     return 0;
   }
@@ -285,6 +295,10 @@ public:
     evals_coarse.resize(0);
   };
 
+  //The block inner product is the inner product on the fine grid locally summed over the blocks
+  //to give a Lattice<Scalar> on the coarse grid. This function orthnormalizes the fine-grid subspace
+  //vectors under the block inner product. This step must be performed after computing the fine grid
+  //eigenvectors and before computing the coarse grid eigenvectors.    
   void Orthogonalise(void ) {
     CoarseScalar InnerProd(_CoarseGrid);
     std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
@@ -328,6 +342,8 @@ public:
     }
   }
 
+  //While this method serves to check the coarse eigenvectors, it also recomputes the eigenvalues from the smoothed reconstructed eigenvectors
+  //hence the smoother can be tuned after running the coarse Lanczos by using a different smoother here
   void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
   {
     assert(evals_fine.size() == nbasis);
@@ -376,18 +392,23 @@ 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); 
 
     evals_coarse.resize(Nm);
@@ -395,6 +416,7 @@ public:
 
     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 +427,14 @@ public:
       std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
     }
   }
+
+  //Get the fine eigenvector 'i' by reconstruction
+  void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
+    blockPromote(evec_coarse[i],evec,subspace);  
+    eval = evals_coarse[i];
+  }
+    
+    
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/PowerMethod.h

@@ -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/lattice/Lattice.h

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

Grid/lattice/Lattice_crc.h

@@ -0,0 +1,42 @@
+/*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/lattice/Lattice_crc.h
+
+    Copyright (C) 2021
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<class vobj> uint32_t crc(Lattice<vobj> & buf)
+{
+  autoView( buf_v , buf, CpuRead);
+  return ::crc32(0L,(unsigned char *)&buf_v[0],(size_t)sizeof(vobj)*buf.oSites());
+}
+
+#define CRC(U) std::cout << "FingerPrint "<<__FILE__ <<" "<< __LINE__ <<" "<< #U <<" "<<crc(U)<<std::endl;
+
+NAMESPACE_END(Grid);
+
+

Grid/lattice/Lattice_rng.h

@@ -32,8 +32,9 @@
 #include <random>
 
 #ifdef RNG_SITMO
-#include <Grid/sitmo_rng/sitmo_prng_engine.hpp>
+#include <Grid/random/sitmo_prng_engine.hpp>
 #endif 
+#include <Grid/random/gaussian.h>
 
 #if defined(RNG_SITMO)
 #define RNG_FAST_DISCARD
@@ -142,8 +143,8 @@ public:
 
   std::vector<RngEngine>                             _generators;
   std::vector<std::uniform_real_distribution<RealD> > _uniform;
-  std::vector<std::normal_distribution<RealD> >       _gaussian;
+  std::vector<Grid::gaussian_distribution<RealD> >       _gaussian;
-  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
+  //  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
   std::vector<std::uniform_int_distribution<uint32_t> > _uid;
 
   ///////////////////////
@@ -243,8 +244,8 @@ public:
   GridSerialRNG() : GridRNGbase() {
     _generators.resize(1);
     _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(1,std::normal_distribution<RealD>(0.0,1.0) );
+    _gaussian.resize(1,gaussian_distribution<RealD>(0.0,1.0) );
-    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
+    //    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -357,8 +358,8 @@ public:
 
     _generators.resize(_vol);
     _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(_vol,std::normal_distribution<RealD>(0.0,1.0) );
+    _gaussian.resize(_vol,gaussian_distribution<RealD>(0.0,1.0) );
-    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
+    //    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -515,11 +516,11 @@ public:
 
 template <class vobj> inline void random(GridParallelRNG &rng,Lattice<vobj> &l)   { rng.fill(l,rng._uniform);  }
 template <class vobj> inline void gaussian(GridParallelRNG &rng,Lattice<vobj> &l) { rng.fill(l,rng._gaussian); }
-template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
+//template <class vobj> inline void bernoulli(GridParallelRNG &rng,Lattice<vobj> &l){ rng.fill(l,rng._bernoulli);}
 
 template <class sobj> inline void random(GridSerialRNG &rng,sobj &l)   { rng.fill(l,rng._uniform  ); }
 template <class sobj> inline void gaussian(GridSerialRNG &rng,sobj &l) { rng.fill(l,rng._gaussian ); }
-template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
+//template <class sobj> inline void bernoulli(GridSerialRNG &rng,sobj &l){ rng.fill(l,rng._bernoulli); }
 
 NAMESPACE_END(Grid);
 #endif

Grid/lattice/Lattice_transfer.h

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

Grid/log/Log.cc

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

Grid/log/Log.h

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

Grid/parallelIO/NerscIO.h

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

Grid/qcd/QCD.h

@@ -63,6 +63,7 @@ static constexpr int Ngp=2; // gparity index range
 #define ColourIndex  (2)
 #define SpinIndex    (1)
 #define LorentzIndex (0)
+#define GparityFlavourIndex (0)
 
 // Also should make these a named enum type
 static constexpr int DaggerNo=0;
@@ -87,6 +88,8 @@ template<typename T> struct isCoarsened {
 template <typename T> using IfCoarsened    = Invoke<std::enable_if< isCoarsened<T>::value,int> > ;
 template <typename T> using IfNotCoarsened = Invoke<std::enable_if<!isCoarsened<T>::value,int> > ;
 
+const int GparityFlavourTensorIndex = 3; //TensorLevel counts from the bottom!
+
 // ChrisK very keen to add extra space for Gparity doubling.
 //
 // Also add domain wall index, in a way where Wilson operator 
@@ -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;
@@ -176,6 +181,16 @@ typedef iDoubleStoredColourMatrix<vComplex > vDoubleStoredColourMatrix;
 typedef iDoubleStoredColourMatrix<vComplexF> vDoubleStoredColourMatrixF;
 typedef iDoubleStoredColourMatrix<vComplexD> vDoubleStoredColourMatrixD;
 
+//G-parity flavour matrix
+typedef iGparityFlavourMatrix<Complex> GparityFlavourMatrix;
+typedef iGparityFlavourMatrix<ComplexF> GparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<ComplexD> GparityFlavourMatrixD;
+
+typedef iGparityFlavourMatrix<vComplex> vGparityFlavourMatrix;
+typedef iGparityFlavourMatrix<vComplexF> vGparityFlavourMatrixF;
+typedef iGparityFlavourMatrix<vComplexD> vGparityFlavourMatrixD;
+
+
 // Spin vector
 typedef iSpinVector<Complex >           SpinVector;
 typedef iSpinVector<ComplexF>           SpinVectorF;
@@ -221,6 +236,16 @@ typedef iHalfSpinColourVector<vComplex > vHalfSpinColourVector;
 typedef iHalfSpinColourVector<vComplexF> vHalfSpinColourVectorF;
 typedef iHalfSpinColourVector<vComplexD> vHalfSpinColourVectorD;
 
+//G-parity flavour vector
+typedef iGparityFlavourVector<Complex >         GparityFlavourVector;
+typedef iGparityFlavourVector<ComplexF>         GparityFlavourVectorF;
+typedef iGparityFlavourVector<ComplexD>         GparityFlavourVectorD;
+
+typedef iGparityFlavourVector<vComplex >         vGparityFlavourVector;
+typedef iGparityFlavourVector<vComplexF>         vGparityFlavourVectorF;
+typedef iGparityFlavourVector<vComplexD>         vGparityFlavourVectorD;
+
+    
 // singlets
 typedef iSinglet<Complex >         TComplex;     // FIXME This is painful. Tensor singlet complex type.
 typedef iSinglet<ComplexF>         TComplexF;    // FIXME This is painful. Tensor singlet complex type.

Grid/qcd/action/ActionParams.h

@@ -36,7 +36,8 @@ NAMESPACE_BEGIN(Grid);
 
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
-  Coordinate twists;
+  Coordinate twists; //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
+                     //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
   GparityWilsonImplParams() : twists(Nd, 0) {};
 };
   
@@ -65,7 +66,8 @@ struct StaggeredImplParams {
 				    RealD, tolerance, 
 				    int,   degree, 
 				    int,   precision,
-				    int,   BoundsCheckFreq);
+				    int,   BoundsCheckFreq,
+				    RealD, BoundsCheckTol);
     
   // MaxIter and tolerance, vectors??
     
@@ -76,16 +78,62 @@ struct StaggeredImplParams {
 				RealD tol      = 1.0e-8, 
                            	int _degree    = 10,
 				int _precision = 64,
-				int _BoundsCheckFreq=20)
+				int _BoundsCheckFreq=20,
+				double _BoundsCheckTol=1e-6)
       : lo(_lo),
 	hi(_hi),
 	MaxIter(_maxit),
 	tolerance(tol),
 	degree(_degree),
         precision(_precision),
+        BoundsCheckFreq(_BoundsCheckFreq),
+        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/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/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

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

Grid/qcd/action/pseudofermion/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 +195,16 @@ NAMESPACE_BEGIN(Grid);
         tmp[1] = Zero();
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-          Lop.RefreshShiftCoefficients(-gamma_l);
+          heatbathRefreshShiftCoefficients(0, -gamma_l);
+	  //Lop.RefreshShiftCoefficients(-gamma_l);
           if(use_heatbath_forecasting){ // Forecast CG guess using solutions from previous poles
             Lop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Lop, Forecast_src, prev_solns);
-            SolverHB(Lop, CG_src, CG_soln);
+            SolverHBL(Lop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero(); // Just use zero as the initial guess
-            SolverHB(Lop, CG_src, CG_soln);
+	    SolverHBL(Lop, CG_src, CG_soln);
           }
           Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
           tmp[1] = tmp[1] + ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Lop.k ) * tmp[0];
@@ -187,15 +223,16 @@ NAMESPACE_BEGIN(Grid);
         if(use_heatbath_forecasting){ prev_solns.clear(); } // empirically, LH solns don't help for RH solves
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-          Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
+	  heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
+          //Rop.RefreshShiftCoefficients(-gamma_l*PowerNegHalf.poles[k]);
           if(use_heatbath_forecasting){
             Rop.Mdag(CG_src, Forecast_src);
             CG_soln = Forecast(Rop, Forecast_src, prev_solns);
-            SolverHB(Rop, CG_src, CG_soln);
+            SolverHBR(Rop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero();
-            SolverHB(Rop, CG_src, CG_soln);
+            SolverHBR(Rop, CG_src, CG_soln);
           }
           Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
           tmp[1] = tmp[1] - ( PowerNegHalf.residues[k]*gamma_l*gamma_l*Rop.k ) * tmp[0];
@@ -205,49 +242,119 @@ NAMESPACE_BEGIN(Grid);
         Phi = Phi + tmp[1];
 
         // Reset shift coefficients for energy and force evals
-        Lop.RefreshShiftCoefficients(0.0);
+        //Lop.RefreshShiftCoefficients(0.0);
-        Rop.RefreshShiftCoefficients(-1.0);
+        //Rop.RefreshShiftCoefficients(-1.0);
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+
+	//Mark that the next call to S is the first after refresh
+	initial_action = true;
+
 
 	// Bounds check
 	RealD EtaDagEta = norm2(eta);
+	norm2_eta = EtaDagEta;
+
 	//	RealD PhiDagMPhi= norm2(eta);
 
       };
 
-      void Meofa(const GaugeField& U,const FermionField &phi, FermionField & Mphi) 
+      void Meofa(const GaugeField& U,const FermionField &in, FermionField & out) 
       {
-#if 0
         Lop.ImportGauge(U);
         Rop.ImportGauge(U);
 
-        FermionField spProj_Phi(Lop.FermionGrid());
+        FermionField spProj_in(Lop.FermionGrid());
-	FermionField mPhi(Lop.FermionGrid());
         std::vector<FermionField> tmp(2, Lop.FermionGrid());
-	mPhi = phi;
+	out = in;
 	
         // LH term: S = S - k <\Phi| P_{-} \Omega_{-}^{\dagger} H(mf)^{-1} \Omega_{-} P_{-} |\Phi>
-        spProj(Phi, spProj_Phi, -1, Lop.Ls);
+        spProj(in, spProj_in, -1, Lop.Ls);
-        Lop.Omega(spProj_Phi, tmp[0], -1, 0);
+        Lop.Omega(spProj_in, tmp[0], -1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverL(Lop, tmp[1], tmp[0]);
         Lop.Dtilde(tmp[0], tmp[1]); // We actually solved Cayley preconditioned system: transform back
         Lop.Omega(tmp[1], tmp[0], -1, 1);
-	mPhi = mPhi -  Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
+	spProj(tmp[0], tmp[1], -1, Lop.Ls);
+
+	out = out -  Lop.k * tmp[1];
 
         // RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
-        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
+        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
-        spProj(Phi, spProj_Phi, 1, Rop.Ls);
+        spProj(in, spProj_in, 1, Rop.Ls);
-        Rop.Omega(spProj_Phi, tmp[0], 1, 0);
+        Rop.Omega(spProj_in, tmp[0], 1, 0);
         G5R5(tmp[1], tmp[0]);
         tmp[0] = Zero();
         SolverR(Rop, tmp[1], tmp[0]);
         Rop.Dtilde(tmp[0], tmp[1]);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
-        action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
+	spProj(tmp[0], tmp[1], 1, Rop.Ls);
-#endif
+
+        out = out + Rop.k * tmp[1];
       }
 
+      //Due to the structure of EOFA, it is no more expensive to compute the inverse of Meofa
+      //To ensure correctness we can simply reuse the heatbath code but use the rational approx
+      //f(x) = 1/x   which corresponds to alpha_0=0,  alpha_1=1,  beta_1=0 => gamma_1=1
+      void MeofaInv(const GaugeField &U, const FermionField &in, FermionField &out) {
+        Lop.ImportGauge(U);
+        Rop.ImportGauge(U);
+
+        FermionField CG_src      (Lop.FermionGrid());
+        FermionField CG_soln     (Lop.FermionGrid());
+        std::vector<FermionField> tmp(2, Lop.FermionGrid());
+
+        // \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
+	// = 1 * \eta
+        out = in;
+
+        // LH terms:
+        // \Phi = \Phi + k \sum_{k=1}^{N_{p}} P_{-} \Omega_{-}^{\dagger} ( H(mf)
+        //          - \gamma_{l} \Delta_{-}(mf,mb) P_{-} )^{-1} \Omega_{-} P_{-} \eta
+        spProj(in, tmp[0], -1, Lop.Ls);
+        Lop.Omega(tmp[0], tmp[1], -1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+          heatbathRefreshShiftCoefficients(0, -1.); //-gamma_1 = -1.
+
+	  CG_soln = Zero(); // Just use zero as the initial guess
+	  SolverHBL(Lop, CG_src, CG_soln);
+
+          Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = Lop.k * tmp[0];
+        }
+        Lop.Omega(tmp[1], tmp[0], -1, 1);
+        spProj(tmp[0], tmp[1], -1, Lop.Ls);
+        out = out + tmp[1];
+
+        // RH terms:
+        // \Phi = \Phi - k \sum_{k=1}^{N_{p}} P_{+} \Omega_{+}^{\dagger} ( H(mb)
+        //          - \beta_l\gamma_{l} \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} \eta
+        spProj(in, tmp[0], 1, Rop.Ls);
+        Rop.Omega(tmp[0], tmp[1], 1, 0);
+        G5R5(CG_src, tmp[1]);
+        {
+	  heatbathRefreshShiftCoefficients(1, 0.); //-gamma_1 * beta_1 = 0
+
+	  CG_soln = Zero();
+	  SolverHBR(Rop, CG_src, CG_soln);
+
+          Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
+          tmp[1] = - Rop.k * tmp[0];
+        }
+        Rop.Omega(tmp[1], tmp[0], 1, 1);
+        spProj(tmp[0], tmp[1], 1, Rop.Ls);
+        out = out + tmp[1];
+
+        // Reset shift coefficients for energy and force evals
+	heatbathRefreshShiftCoefficients(0, 0.0);
+	heatbathRefreshShiftCoefficients(1, -1.0);
+      };
+
+
+
+
       // EOFA action: see Eqn. (10) of arXiv:1706.05843
       virtual RealD S(const GaugeField& U)
       {
@@ -271,7 +378,7 @@ NAMESPACE_BEGIN(Grid);
         action -= Lop.k * innerProduct(spProj_Phi, tmp[0]).real();
 
         // RH term: S = S + k <\Phi| P_{+} \Omega_{+}^{\dagger} ( H(mb)
-        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{-} P_{-} |\Phi>
+        //               - \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} |\Phi>
         spProj(Phi, spProj_Phi, 1, Rop.Ls);
         Rop.Omega(spProj_Phi, tmp[0], 1, 0);
         G5R5(tmp[1], tmp[0]);
@@ -281,6 +388,26 @@ NAMESPACE_BEGIN(Grid);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
         action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
 
+	if(initial_action){
+	  //For the first call to S after refresh,  S = |eta|^2. We can use this to ensure the rational approx is good
+	  RealD diff = action - norm2_eta;
+
+	  //S_init = eta^dag M^{-1/2} M M^{-1/2} eta
+	  //S_init - eta^dag eta =  eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta
+
+	  //If approximate solution
+	  //S_init - eta^dag eta =  eta^dag ( [M^{-1/2}+\delta M^{-1/2}] M [M^{-1/2}+\delta M^{-1/2}] - 1 ) eta
+	  //               \approx  eta^dag ( \delta M^{-1/2} M^{1/2} + M^{1/2}\delta M^{-1/2} ) eta
+	  // We divide out |eta|^2 to remove source scaling but the tolerance on this check should still be somewhat higher than the actual approx tolerance
+	  RealD test = fabs(diff)/norm2_eta; //test the quality of the rational approx
+
+	  std::cout << GridLogMessage << action_name() << " initial action " << action << " expect " << norm2_eta << "; diff " << diff << std::endl;
+	  std::cout << GridLogMessage << action_name() << "[ eta^dag ( M^{-1/2} M M^{-1/2} - 1 ) eta ]/|eta^2| = " << test << "  expect 0 (tol " << param.BoundsCheckTol << ")" << std::endl;
+
+	  assert( ( test < param.BoundsCheckTol ) && " Initial action check failed" );
+	  initial_action = false;
+	}
+
         return action;
       };
 
@@ -329,6 +456,40 @@ NAMESPACE_BEGIN(Grid);
       };
   };
 
+  template<class ImplD, class ImplF>
+  class ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction : public ExactOneFlavourRatioPseudoFermionAction<ImplD>{
+  public:
+    INHERIT_IMPL_TYPES(ImplD);
+    typedef OneFlavourRationalParams Params;
+
+  private:
+    AbstractEOFAFermion<ImplF>& LopF; // the basic LH operator
+    AbstractEOFAFermion<ImplF>& RopF; // the basic RH operator
+
+  public:
+    
+    virtual std::string action_name() { return "ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction"; }
+    
+    //Used in the heatbath, refresh the shift coefficients of the L (LorR=0) or R (LorR=1) operator
+    virtual void heatbathRefreshShiftCoefficients(int LorR, RealD to){
+      AbstractEOFAFermion<ImplF> &op = LorR == 0 ? LopF : RopF;
+      op.RefreshShiftCoefficients(to);
+      this->ExactOneFlavourRatioPseudoFermionAction<ImplD>::heatbathRefreshShiftCoefficients(LorR,to);
+    }
+    
+    ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction(AbstractEOFAFermion<ImplF>& _LopF, 
+							     AbstractEOFAFermion<ImplF>& _RopF,
+							     AbstractEOFAFermion<ImplD>& _LopD, 
+							     AbstractEOFAFermion<ImplD>& _RopD,
+							     OperatorFunction<FermionField>& HeatbathCGL, OperatorFunction<FermionField>& HeatbathCGR,
+							     OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR, 
+							     OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR, 
+							     Params& p, 
+							     bool use_fc=false) : 
+    LopF(_LopF), RopF(_RopF), ExactOneFlavourRatioPseudoFermionAction<ImplD>(_LopD, _RopD, HeatbathCGL, HeatbathCGR, ActionCGL, ActionCGR, DerivCGL, DerivCGR, p, use_fc){}
+  };
+
+
 NAMESPACE_END(Grid);
 
 #endif

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatio.h

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

Grid/qcd/action/pseudofermion/GeneralEvenOddRationalRatioMixedPrec.h

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

Grid/qcd/action/pseudofermion/OneFlavourEvenOddRationalRatio.h

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

Grid/qcd/action/pseudofermion/PseudoFermion.h

@@ -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

@@ -83,16 +83,10 @@ NAMESPACE_BEGIN(Grid);
 	return sstream.str();
       } 
 
+      //Access the fermion field
+      const FermionField &getPhiOdd() const{ return PhiOdd; }
 
       virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
-
-        // P(phi) = e^{- phi^dag Vpc (MpcdagMpc)^-1 Vpcdag phi}
-        //
-        // NumOp == V
-        // DenOp == M
-        //
-        // Take phi_o = Vpcdag^{-1} Mpcdag eta_o  ; eta_o = Mpcdag^{-1} Vpcdag Phi
-        //
         // P(eta_o) = e^{- eta_o^dag eta_o}
         //
         // e^{x^2/2 sig^2} => sig^2 = 0.5.
@@ -100,12 +94,22 @@ 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
+        //
+        // Take phi_o = Vpcdag^{-1} Mpcdag eta_o  ; eta_o = Mpcdag^{-1} Vpcdag Phi
         FermionField etaOdd (NumOp.FermionRedBlackGrid());
         FermionField etaEven(NumOp.FermionRedBlackGrid());
         FermionField tmp    (NumOp.FermionRedBlackGrid());
 
-        gaussian(pRNG,eta);
-
         pickCheckerboard(Even,etaEven,eta);
         pickCheckerboard(Odd,etaOdd,eta);
 
@@ -125,8 +129,8 @@ NAMESPACE_BEGIN(Grid);
         DenOp.MooeeDag(etaEven,tmp);
         NumOp.MooeeInvDag(tmp,PhiEven);
 
-        PhiOdd =PhiOdd*scale;
+        //PhiOdd =PhiOdd*scale;
-        PhiEven=PhiEven*scale;
+        //PhiEven=PhiEven*scale;
         
       };
 

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 +151,40 @@ 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);
 
     Smearing.set_Field(U);
 

Grid/qcd/hmc/HMC.h

@@ -115,21 +115,21 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogMessage
+    std::cout << GridLogHMC
               << "--------------------------------------------------\n";
-    std::cout << GridLogMessage << "exp(-dH) = " << prob
+    std::cout << GridLogHMC << "exp(-dH) = " << prob
               << "  Random = " << rn_test << "\n";
-    std::cout << GridLogMessage
+    std::cout << GridLogHMC
               << "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";
       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";
       return false;
     }
@@ -145,7 +145,7 @@ private:
 
     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);
 
     TheIntegrator.integrate(U);
@@ -165,7 +165,7 @@ private:
 
 
     std::cout.precision(15);
-    std::cout << GridLogMessage << "Total H after trajectory  = " << H1
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1
 	      << "  dH = " << H1 - H0 << "\n";
     std::cout.precision(current_precision);
     
@@ -196,9 +196,9 @@ 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();
@@ -207,10 +207,10 @@ 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)
@@ -219,7 +219,7 @@ public:
      
       
       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;
 
 
       for (int obs = 0; obs < Observables.size(); obs++) {
@@ -228,7 +228,7 @@ 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

@@ -227,6 +227,9 @@ 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

@@ -136,8 +136,14 @@ protected:
       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;
+      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 max_force_abs = std::sqrt(maxLocalNorm2(force));
+      Real max_impulse_abs = max_force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << " Max force: " << max_force_abs << " Time step: " << ep << " Impulse average: " << impulse_abs << " Max impulse: " << max_impulse_abs << std::endl;
       Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;; 
       double end_full = usecond();
       double time_full  = (end_full - start_full) / 1e3;
@@ -249,15 +255,19 @@ public:
   void refresh(Field& U,  GridSerialRNG & sRNG, GridParallelRNG& pRNG) 
   {
     assert(P.Grid() == U.Grid());
-    std::cout << GridLogIntegrator << "Integrator refresh\n";
+    std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
 
+    std::cout << GridLogIntegrator << "Generating momentum" << std::endl;
     FieldImplementation::generate_momenta(P, sRNG, pRNG);
 
     // Update the smeared fields, can be implemented as observer
     // necessary to keep the fields updated even after a reject
     // of the Metropolis
+    std::cout << GridLogIntegrator << "Updating smeared fields" << std::endl;
     Smearer.set_Field(U);
     // Set the (eventual) representations gauge fields
+
+    std::cout << GridLogIntegrator << "Updating representations" << std::endl;
     Representations.update(U);
 
     // The Smearer is attached to a pointer of the gauge field
@@ -267,6 +277,7 @@ 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
+	std::cout << GridLogIntegrator << "Refreshing integrator level " << level << " index " << actionID << std::endl;
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
       }

Grid/qcd/observables/topological_charge.h

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

Grid/qcd/smearing/WilsonFlow.h

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

Grid/qcd/utils/CovariantCshift.h

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

Grid/qcd/utils/GaugeFix.h

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

Grid/qcd/utils/SUn.h

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

Grid/qcd/utils/WilsonLoops.h

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

Grid/random/gaussian.h

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

Grid/tensors/Tensor_extract_merge.h

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

Grid/threads/Accelerator.h

@@ -206,7 +206,8 @@ inline void *acceleratorAllocShared(size_t bytes)
   auto err = cudaMallocManaged((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMallocManaged failed for %d %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
   }
   return ptr;
 };
@@ -216,15 +217,47 @@ inline void *acceleratorAllocDevice(size_t bytes)
   auto err = cudaMalloc((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMalloc failed for %d %s \n",bytes,cudaGetErrorString(err));
+    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
   }
   return ptr;
 };
-inline void acceleratorFreeShared(void *ptr){ cudaFree(ptr);};
+inline void acceleratorFreeShared(void *ptr){
-inline void acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
+  auto err = cudaFree(ptr);
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
+  if( err != cudaSuccess ) {
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
+    printf(" cudaFree(Shared) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+};
+inline void acceleratorFreeDevice(void *ptr){
+  auto err = cudaFree(ptr);
+  if( err != cudaSuccess ) {
+    printf(" cudaFree(Device) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+};
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  {
+  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemcpy(host->device) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){
+  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemcpy(device->host) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+inline void acceleratorMemSet(void *base,int value,size_t bytes) {
+  auto err = cudaMemset(base,value,bytes);
+  if( err != cudaSuccess ) {
+    printf(" cudaMemSet failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
+    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+  }
+}
+
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
   cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToDevice,copyStream);

HMC/DWF2p1fIwasakiGparity.cc

@@ -0,0 +1,473 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/DWF2p1fIwasakiGparity.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//2+1f DWF+I ensemble with G-parity BCs
+//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  RatQuoParameters, rat_quo_l,
+				  RatQuoParameters, rat_quo_s);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr){
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+      
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+}
+
+
+
+
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "Params", user_params);
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+   // Typedefs to simplify notation
+  typedef GparityDomainWallFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityDomainWallFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.032;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+
+  //Setup the Grids
+  auto GridPtrD   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
+
+  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(GridPtrD);
+  LatticeGaugeFieldF Uf(GridPtrF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light action
+  /////////////////////////////////////////////////////////////
+
+  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
+  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
+  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_l;
+  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_l.precision= 60;
+  rat_act_params_l.MaxIter  = 10000;
+  user_params.rat_quo_l.Export(rat_act_params_l);
+  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+ 
+  MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
+  //DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
+  Level1.push_back(&Quotient_l);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  //DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
+  std::string lanc_params_l, lanc_params_s;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
+    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
+    else if(sarg == "--eigenrange_l"){
+      assert(i < argc-1);
+      eigenrange_l=true;
+      lanc_params_l = argv[i+1];
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+  }
+  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main
+

HMC/DWF2p1fIwasakiGparityRHMCdouble.cc

@@ -0,0 +1,473 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/DWF2p1fIwasakiGparity.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//2+1f DWF+I ensemble with G-parity BCs
+//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  RatQuoParameters, rat_quo_l,
+				  RatQuoParameters, rat_quo_s);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr){
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+      
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+  std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+  InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+  std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+  std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+}
+
+
+
+
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "Params", user_params);
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+   // Typedefs to simplify notation
+  typedef GparityDomainWallFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityDomainWallFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.032;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+
+  //Setup the Grids
+  auto GridPtrD   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
+
+  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(GridPtrD);
+  LatticeGaugeFieldF Uf(GridPtrF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light action
+  /////////////////////////////////////////////////////////////
+
+  FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
+  FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
+  FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_l;
+  rat_act_params_l.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_l.precision= 60;
+  rat_act_params_l.MaxIter  = 10000;
+  user_params.rat_quo_l.Export(rat_act_params_l);
+  std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+ 
+  //MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
+  DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
+  Level1.push_back(&Quotient_l);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level2.push_back(&GaugeAction);
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false; 
+  std::string lanc_params_l, lanc_params_s;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
+    else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
+    else if(sarg == "--eigenrange_l"){
+      assert(i < argc-1);
+      eigenrange_l=true;
+      lanc_params_l = argv[i+1];
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+  }
+  if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main
+

HMC/Mobius2p1fIDSDRGparityEOFA.cc

@@ -0,0 +1,765 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//We try to reproduce with G-parity BCs the 246 MeV 1.37 GeV ensemble
+//To speed things up we will use Mobius DWF with b+c=32/12 and Ls=12 to match the Ls=32 of the original
+//These parameters match those used in the 2020 K->pipi paper
+
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+struct EOFAparameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
+				  OneFlavourRationalParams, rat_params,
+				  double, action_tolerance,
+				  double, action_mixcg_inner_tolerance,
+				  double, md_tolerance,
+				  double, md_mixcg_inner_tolerance);
+
+  EOFAparameters() { 
+    action_mixcg_inner_tolerance = 1e-8;
+    action_tolerance = 1e-10;
+    md_tolerance = 1e-8;
+    md_mixcg_inner_tolerance = 1e-8;
+
+    rat_params.lo = 0.1;
+    rat_params.hi = 25.0;
+    rat_params.MaxIter  = 10000;
+    rat_params.tolerance= 1.0e-9;
+    rat_params.degree   = 14;
+    rat_params.precision= 50;
+  }
+};
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  EOFAparameters, eofa_l,
+				  RatQuoParameters, rat_quo_s,
+				  RatQuoParameters, rat_quo_DSDR);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+//action_or_md toggles checking the action (0), MD (1) or both (2) setups
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr, int action_or_md){
+  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
+  
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+
+  PowerMethod<FermionFieldD> power_method;
+  RealD lambda_max;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
+
+  lambda_max = power_method(MdagM,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
+  lambda_max = power_method(VdagV,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  if(action_or_md == 0 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  if(action_or_md == 1 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+}
+
+
+template<typename FermionImplPolicy>
+void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  RealD scale = std::sqrt(0.5);
+  gaussian(rng,eta); eta = eta * scale;
+
+  //Use the inbuilt check
+  EOFA.refresh(latt, eta);
+  EOFA.S(latt);
+  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
+}
+
+
+template<typename FermionImplPolicy>
+class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
+  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
+}
+
+//Applications of M^{-1} cost the same as M for EOFA!
+template<typename FermionImplPolicy>
+class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
+  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
+}
+
+
+NAMESPACE_BEGIN(Grid);
+
+  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+  public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid4; //Grid for single-precision fields
+    GridBase* SinglePrecGrid5; //Grid for single-precision fields
+    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
+						    Integer maxinnerit, 
+						    Integer maxouterit, 
+						    GridBase* _sp_grid4, 
+						    GridBase* _sp_grid5, 
+						    FermionOperatorF &_FermOpF,
+						    FermionOperatorD &_FermOpD,
+						    SchurOperatorF   &_LinOpF,
+						    SchurOperatorD   &_LinOpD): 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      InnerTolerance(tol), 
+      MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), 
+      SinglePrecGrid4(_sp_grid4),
+      SinglePrecGrid5(_sp_grid5),
+      OuterLoopNormMult(100.) 
+    { 
+    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
+
+      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+NAMESPACE_END(Grid);
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    {
+      Grid::XmlWriter wr(param_file + ".templ");
+      write(wr, "Params", user_params);
+    }
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+
+  typedef GparityMobiusEOFAFermionD EOFAactionD;
+  typedef GparityMobiusFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityMobiusEOFAFermionF EOFAactionF;
+  typedef GparityMobiusFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 12;
+  Real beta         = 1.75;
+  Real light_mass   = 0.0042; //240 MeV
+  Real strange_mass = 0.045;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD mobius_scale = 32./12.; //b+c
+
+  RealD mob_bmc = 1.0;
+  RealD mob_b = (mobius_scale + mob_bmc)/2.;
+  RealD mob_c = (mobius_scale - mob_bmc)/2.;
+
+  //Setup the Grids
+  auto UGridD   = TheHMC.Resources.GetCartesian();
+  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
+
+  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(UGridD);
+  LatticeGaugeFieldF Uf(UGridF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(1); //DSDR
+  ActionLevel<HMCWrapper::Field> Level3(8); //gauge (8 increments per step)
+
+
+  /////////////////////////////////////////////////////////////
+  // Light EOFA action
+  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
+  /////////////////////////////////////////////////////////////
+
+  EOFAactionD LopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
+  EOFAactionF LopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, light_mass, light_mass, pv_mass, 0.0, -1, M5, mob_b, mob_c, Params);
+  EOFAactionD RopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
+  EOFAactionF RopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, pv_mass, light_mass, pv_mass, -1.0, 1, M5, mob_b, mob_c, Params);
+
+  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
+  
+  EOFAschuropD linopL_D(LopD);
+  EOFAschuropD linopR_D(RopD);
+
+  EOFAschuropF linopL_F(LopF);
+  EOFAschuropF linopR_F(RopF);
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+
+  EOFA_mxCG ActionMCG_L(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
+  ActionMCG_L.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
+  
+  EOFA_mxCG ActionMCG_R(user_params.eofa_l.action_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
+  ActionMCG_R.InnerTolerance = user_params.eofa_l.action_mixcg_inner_tolerance;
+
+  EOFA_mxCG DerivMCG_L(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
+  DerivMCG_L.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
+
+  EOFA_mxCG DerivMCG_R(user_params.eofa_l.md_tolerance, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
+  DerivMCG_R.InnerTolerance = user_params.eofa_l.md_mixcg_inner_tolerance;
+
+  std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+  std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+  ConjugateGradient<FermionFieldD>      ActionCG(user_params.eofa_l.action_tolerance, 10000);
+  ConjugateGradient<FermionFieldD>  DerivativeCG(user_params.eofa_l.md_tolerance, 10000);
+
+  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
+  // 								   ActionCG, ActionCG, ActionCG, 
+  // 								   DerivativeCG, DerivativeCG, 
+  // 								   user_params.eofa_l.rat_params, true);
+
+  // ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> EOFA(LopD, RopD, 
+  // 								   ActionMCG_L, ActionMCG_R, 
+  // 								   ActionMCG_L, ActionMCG_R, 
+  // 								   DerivMCG_L, DerivMCG_R, 
+  // 								   user_params.eofa_l.rat_params, true);
+
+  ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFA(LopF, RopF,
+													LopD, RopD, 
+													ActionMCG_L, ActionMCG_R, 
+													ActionMCG_L, ActionMCG_R, 
+													DerivMCG_L, DerivMCG_R, 
+													user_params.eofa_l.rat_params, true);
+
+
+  Level1.push_back(&EOFA);
+
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+  ///////////////////////////////////
+  // DSDR action
+  ///////////////////////////////////
+  RealD dsdr_mass=-1.8;   
+  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
+  RealD dsdr_epsilon_b = 0.5; 
+  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
+  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
+
+  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
+  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
+ 
+  RationalActionParams rat_act_params_DSDR;
+  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_DSDR.precision= 60;
+  rat_act_params_DSDR.MaxIter  = 10000;
+  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
+  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
+  Level2.push_back(&Quotient_DSDR);
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool 
+    tune_rhmc_s=false, eigenrange_s=false, 
+    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
+    check_eofa=false, 
+    upper_bound_eofa=false, lower_bound_eofa(false);
+
+  std::string lanc_params_s;
+  std::string lanc_params_DSDR;
+  int tune_rhmc_s_action_or_md;
+  int tune_rhmc_DSDR_action_or_md;
+
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_s"){
+      assert(i < argc-1);
+      tune_rhmc_s=true;
+      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+    else if(sarg == "--tune_rhmc_DSDR"){
+      assert(i < argc-1);
+      tune_rhmc_DSDR=true;
+      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_DSDR"){
+      assert(i < argc-1);
+      eigenrange_DSDR=true;
+      lanc_params_DSDR = argv[i+1];
+    }
+    else if(sarg == "--check_eofa") check_eofa = true;
+    else if(sarg == "--upper_bound_eofa") upper_bound_eofa = true;
+    else if(sarg == "--lower_bound_eofa") lower_bound_eofa = true;
+  }
+  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
+    std::cout << GridLogMessage << "Running checks" << std::endl;
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+
+    std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+    std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+
+    if(check_eofa) checkEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(upper_bound_eofa) upperBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(lower_bound_eofa) lowerBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
+    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
+
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main

HMC/Mobius2p1fIDSDRGparityEOFA_40ID.cc

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

HMC/Mobius2p1fIDSDRGparityEOFA_48ID.cc

@@ -0,0 +1,873 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./HMC/Mobius2p1fIDSDRGparityEOFA.cc
+
+Copyright (C) 2015-2016
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+//Production binary for the 40ID G-parity ensemble
+
+struct RatQuoParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
+				  double, bnd_lo,
+				  double, bnd_hi,
+				  Integer, action_degree,
+				  double, action_tolerance,
+				  Integer, md_degree,
+				  double, md_tolerance,
+				  Integer, reliable_update_freq,
+				  Integer, bnd_check_freq);
+  RatQuoParameters() { 
+    bnd_lo = 1e-2;
+    bnd_hi = 30;
+    action_degree = 10;
+    action_tolerance = 1e-10;
+    md_degree = 10;
+    md_tolerance = 1e-8;
+    bnd_check_freq = 20;
+    reliable_update_freq = 50;
+  }
+
+  void Export(RationalActionParams &into) const{
+    into.lo = bnd_lo;
+    into.hi = bnd_hi;
+    into.action_degree = action_degree;
+    into.action_tolerance = action_tolerance;
+    into.md_degree = md_degree;
+    into.md_tolerance = md_tolerance;
+    into.BoundsCheckFreq = bnd_check_freq;
+  }
+};
+
+struct EOFAparameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EOFAparameters,
+				  OneFlavourRationalParams, rat_params,
+				  double, action_tolerance,
+				  double, action_mixcg_inner_tolerance,
+				  double, md_tolerance,
+				  double, md_mixcg_inner_tolerance);
+
+  EOFAparameters() { 
+    action_mixcg_inner_tolerance = 1e-8;
+    action_tolerance = 1e-10;
+    md_tolerance = 1e-8;
+    md_mixcg_inner_tolerance = 1e-8;
+
+    rat_params.lo = 1.0;
+    rat_params.hi = 25.0;
+    rat_params.MaxIter  = 10000;
+    rat_params.tolerance= 1.0e-9;
+    rat_params.degree   = 14;
+    rat_params.precision= 50;
+  }
+};
+
+struct EvolParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
+                                  Integer, StartTrajectory,
+                                  Integer, Trajectories,
+				  Integer, SaveInterval,
+				  Integer, Steps,
+				  RealD, TrajectoryLength,
+                                  bool, MetropolisTest,
+				  std::string, StartingType,
+				  std::vector<Integer>, GparityDirs,
+				  std::vector<EOFAparameters>, eofa_l,
+				  RatQuoParameters, rat_quo_s,
+				  RatQuoParameters, rat_quo_DSDR);
+
+  EvolParameters() {
+    //For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
+    MetropolisTest    = false;
+    StartTrajectory   = 0;
+    Trajectories      = 50;
+    SaveInterval = 5;
+    StartingType      = "ColdStart";
+    GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
+    Steps = 5;
+    TrajectoryLength = 1.0;
+  }
+};
+
+bool fileExists(const std::string &fn){
+  std::ifstream f(fn);
+  return f.good();
+}
+
+
+
+
+struct LanczosParameters: Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
+				  double, alpha,
+				  double, beta,
+				  double, mu,
+				  int, ord,
+				  int, n_stop,
+				  int, n_want,
+				  int, n_use,
+				  double, tolerance);
+
+  LanczosParameters() {
+    alpha = 35;
+    beta = 5;
+    mu = 0;
+    ord = 100;
+    n_stop = 10;
+    n_want = 10;
+    n_use = 15;
+    tolerance = 1e-6;
+  }
+};
+
+
+
+template<typename FermionActionD, typename FermionFieldD>
+void computeEigenvalues(std::string param_file,
+			GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+			FermionActionD &action, GridParallelRNG &rng){
+  
+  LanczosParameters params;
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "LanczosParameters", params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    Grid::XmlWriter wr(param_file + ".templ");
+    write(wr, "LanczosParameters", params);
+  }
+
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  action.ImportGauge(latt);
+
+  SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
+  PlainHermOp<FermionFieldD> hermop_wrap(hermop);
+  //ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
+  assert(params.mu == 0.0);
+
+  Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
+  FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
+
+  std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
+  ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
+
+  std::vector<RealD> eval(params.n_use);
+  std::vector<FermionFieldD> evec(params.n_use, rbGrid);
+  int Nconv;
+  IRL.calc(eval, evec, gauss_o, Nconv);
+
+  std::cout << "Eigenvalues:" << std::endl;
+  for(int i=0;i<params.n_want;i++){
+    std::cout << i << " " << eval[i] << std::endl;
+  }
+}
+
+
+//Check the quality of the RHMC approx
+//action_or_md toggles checking the action (0), MD (1) or both (2) setups
+template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
+void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt,  //expect lattice to have been initialized to something
+	       FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
+	       int inv_pow, const std::string &quark_descr, int action_or_md){
+  assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
+  
+  FermionFieldD gauss_o(rbGrid);
+  FermionFieldD gauss(Grid);
+  gaussian(rng, gauss);
+  pickCheckerboard(Odd, gauss_o, gauss);
+
+  numOp.ImportGauge(latt);
+  denOp.ImportGauge(latt);
+
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
+  SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
+
+  PowerMethod<FermionFieldD> power_method;
+  RealD lambda_max;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
+
+  lambda_max = power_method(MdagM,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
+  lambda_max = power_method(VdagV,gauss_o);
+  std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
+
+  if(action_or_md == 0 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
+    std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+
+  std::cout << "-------------------------------------------------------------------------------" << std::endl;
+
+  if(action_or_md == 1 || action_or_md == 2){
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD); 
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+    InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
+
+    std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+    InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
+    std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
+  }
+}
+
+
+template<typename FermionImplPolicy>
+void checkEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+	       GridCartesian* FGrid, GridParallelRNG &rng, const LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA action/bounds check" << std::endl;
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  RealD scale = std::sqrt(0.5);
+  gaussian(rng,eta); eta = eta * scale;
+
+  //Use the inbuilt check
+  EOFA.refresh(latt, eta);
+  EOFA.S(latt);
+  std::cout << GridLogMessage << "Finished EOFA upper action/bounds check" << std::endl;
+}
+
+
+template<typename FermionImplPolicy>
+class EOFAlinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAlinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.Meofa(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void upperBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA upper bound compute" << std::endl;
+  EOFAlinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Upper bound of EOFA operator " << lambda_max << std::endl;
+}
+
+//Applications of M^{-1} cost the same as M for EOFA!
+template<typename FermionImplPolicy>
+class EOFAinvLinop: public LinearOperatorBase<typename FermionImplPolicy::FermionField>{
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA;
+  LatticeGaugeFieldD &U;
+public:
+  EOFAinvLinop(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA, LatticeGaugeFieldD &U): EOFA(EOFA), U(U){}
+
+  typedef typename FermionImplPolicy::FermionField Field;
+  void OpDiag (const Field &in, Field &out){ assert(0); }
+  void OpDir  (const Field &in, Field &out,int dir,int disp){ assert(0); }
+  void OpDirAll  (const Field &in, std::vector<Field> &out){ assert(0); } 
+
+  void Op     (const Field &in, Field &out){ assert(0); }
+  void AdjOp  (const Field &in, Field &out){ assert(0); }
+  void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
+  void HermOp(const Field &in, Field &out){ EOFA.MeofaInv(U, in, out); }
+};
+
+template<typename FermionImplPolicy>
+void lowerBoundEOFA(ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy> &EOFA,
+		    GridCartesian* FGrid, GridParallelRNG &rng, LatticeGaugeFieldD &latt){
+  std::cout << GridLogMessage << "Starting EOFA lower bound compute using power method on M^{-1}. Inverse of highest eigenvalue is the lowest eigenvalue of M" << std::endl;
+  EOFAinvLinop<FermionImplPolicy> linop(EOFA, latt);
+  typename FermionImplPolicy::FermionField eta(FGrid);
+  gaussian(rng,eta);
+  PowerMethod<typename FermionImplPolicy::FermionField> power_method;
+  auto lambda_max = power_method(linop,eta);
+  std::cout << GridLogMessage << "Lower bound of EOFA operator " << 1./lambda_max << std::endl;
+}
+
+
+NAMESPACE_BEGIN(Grid);
+
+  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+  public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid4; //Grid for single-precision fields
+    GridBase* SinglePrecGrid5; //Grid for single-precision fields
+    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
+						    Integer maxinnerit, 
+						    Integer maxouterit, 
+						    GridBase* _sp_grid4, 
+						    GridBase* _sp_grid5, 
+						    FermionOperatorF &_FermOpF,
+						    FermionOperatorD &_FermOpD,
+						    SchurOperatorF   &_LinOpF,
+						    SchurOperatorD   &_LinOpD): 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      InnerTolerance(tol), 
+      MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), 
+      SinglePrecGrid4(_sp_grid4),
+      SinglePrecGrid5(_sp_grid5),
+      OuterLoopNormMult(100.) 
+    { 
+    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
+
+      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+
+  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+  class MixedPrecisionReliableUpdateConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+  public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD Tolerance;
+    Integer MaxIterations;
+
+    RealD Delta; //reliable update parameter
+
+    GridBase* SinglePrecGrid4; //Grid for single-precision fields
+    GridBase* SinglePrecGrid5; //Grid for single-precision fields
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+    
+    MixedPrecisionReliableUpdateConjugateGradientOperatorFunction(RealD tol, 
+								  RealD delta,
+								  Integer maxit, 
+								  GridBase* _sp_grid4, 
+								  GridBase* _sp_grid5, 
+								  FermionOperatorF &_FermOpF,
+								  FermionOperatorD &_FermOpD,
+								  SchurOperatorF   &_LinOpF,
+								  SchurOperatorD   &_LinOpD): 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      Delta(delta),
+      MaxIterations(maxit), 
+      SinglePrecGrid4(_sp_grid4),
+      SinglePrecGrid5(_sp_grid5)
+    { 
+    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
+
+      std::cout << GridLogMessage << " Mixed precision reliable CG update wrapper operator() "<<std::endl;
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+
+      ConjugateGradientReliableUpdate<FieldD,FieldF> MPCG(Tolerance,MaxIterations,Delta,SinglePrecGrid5,LinOpF,LinOpD);
+      std::cout << GridLogMessage << "Calling mixed precision reliable update Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+
+
+NAMESPACE_END(Grid);
+
+
+
+
+
+int main(int argc, char **argv) {
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  std::string param_file = "params.xml";
+  bool file_load_check = false;
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--param_file"){
+      assert(i!=argc-1);
+      param_file = argv[i+1];
+    }else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
+      file_load_check = true;
+    }
+  }
+
+  //Read the user parameters
+  EvolParameters user_params;
+  
+  if(fileExists(param_file)){
+    std::cout << GridLogMessage << " Reading " << param_file << std::endl;
+    Grid::XmlReader rd(param_file);
+    read(rd, "Params", user_params);
+  }else if(!GlobalSharedMemory::WorldRank){
+    std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
+    std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
+    {
+      Grid::XmlWriter wr(param_file + ".templ");
+      write(wr, "Params", user_params);
+    }
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+  //Check the parameters
+  if(user_params.GparityDirs.size() != Nd-1){
+    std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
+    exit(1);
+  }
+  for(int i=0;i<Nd-1;i++)
+    if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
+      std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
+      exit(1);
+    }
+
+
+  typedef GparityMobiusEOFAFermionD EOFAactionD;
+  typedef GparityMobiusFermionD FermionActionD;
+  typedef typename FermionActionD::Impl_t FermionImplPolicyD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef GparityMobiusEOFAFermionF EOFAactionF;
+  typedef GparityMobiusFermionF FermionActionF;
+  typedef typename FermionActionF::Impl_t FermionImplPolicyF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
+  typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps = user_params.Steps;
+  MD.trajL   = user_params.TrajectoryLength;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = user_params.StartTrajectory;
+  HMCparams.Trajectories     = user_params.Trajectories;
+  HMCparams.NoMetropolisUntil= 0;
+  HMCparams.StartingType     = user_params.StartingType;
+  HMCparams.MetropolisTest = user_params.MetropolisTest;
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix    = "ckpoint_rng";
+  CPparams.saveInterval  = user_params.SaveInterval;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  //Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  //aiming for ainv=2.068             me          Bob
+  //Estimated  a(ml+mres) [48ID] = 0.001048    0.00104 
+  //           a(mh+mres) [48ID] = 0.028847    0.02805
+  //Estimate Ls=12, b+c=2  mres~0.0003
+
+  const int Ls      = 12;
+  Real beta         = 1.946;
+  Real light_mass   = 0.00074;   //0.00104 - mres_approx;
+  Real strange_mass = 0.02775;    //0.02805 - mres_approx
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+  RealD mobius_scale = 2.; //b+c
+
+  RealD mob_bmc = 1.0;
+  RealD mob_b = (mobius_scale + mob_bmc)/2.;
+  RealD mob_c = (mobius_scale - mob_bmc)/2.;
+
+  //Setup the Grids
+  auto UGridD   = TheHMC.Resources.GetCartesian();
+  auto UrbGridD = TheHMC.Resources.GetRBCartesian();
+  auto FGridD     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridD);
+  auto FrbGridD   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridD);
+
+  GridCartesian* UGridF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  auto FGridF     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGridF);
+  auto FrbGridF   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGridF);
+
+  ConjugateIwasakiGaugeActionD GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(UGridD);
+  LatticeGaugeFieldF Uf(UGridF);
+ 
+  //Setup the BCs
+  FermionActionD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = user_params.GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+
+  std::vector<int> dirs4(Nd);
+  for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
+  dirs4[Nd-1] = 0; //periodic gauge BC in time
+
+  GaugeImplPolicy::setDirections(dirs4); //gauge BC
+
+  //Run optional gauge field checksum checker and exit
+  if(file_load_check){
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
+  ActionLevel<HMCWrapper::Field> Level2(4); //DSDR
+  ActionLevel<HMCWrapper::Field> Level3(2); //gauge
+
+
+  /////////////////////////////////////////////////////////////
+  // Light EOFA action
+  // have to be careful with the parameters, cf. Test_dwf_gpforce_eofa.cc
+  /////////////////////////////////////////////////////////////
+  typedef SchurDiagMooeeOperator<EOFAactionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<EOFAactionF,FermionFieldF> EOFAschuropF;
+  typedef ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> EOFAmixPrecPFaction;
+  typedef MixedPrecisionConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+  typedef MixedPrecisionReliableUpdateConjugateGradientOperatorFunction<EOFAactionD, EOFAactionF, EOFAschuropD, EOFAschuropF> EOFA_relupCG;
+  
+  std::vector<RealD> eofa_light_masses = { light_mass ,  0.004,   0.016,   0.064,   0.256    };
+  std::vector<RealD> eofa_pv_masses =    { 0.004       , 0.016,   0.064,   0.256,   1.0      };
+  int n_light_hsb = 5;
+  assert(user_params.eofa_l.size() == n_light_hsb);
+  
+  EOFAmixPrecPFaction* EOFA_pfactions[n_light_hsb];
+
+  for(int i=0;i<n_light_hsb;i++){
+    RealD iml = eofa_light_masses[i];
+    RealD ipv = eofa_pv_masses[i];
+
+    EOFAactionD* LopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionF* LopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, iml, iml, ipv, 0.0, -1, M5, mob_b, mob_c, Params);
+    EOFAactionD* RopD = new EOFAactionD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+    EOFAactionF* RopF = new EOFAactionF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, ipv, iml, ipv, -1.0, 1, M5, mob_b, mob_c, Params);
+
+    EOFAschuropD* linopL_D = new EOFAschuropD(*LopD);
+    EOFAschuropD* linopR_D = new EOFAschuropD(*RopD);
+    
+    EOFAschuropF* linopL_F = new EOFAschuropF(*LopF);
+    EOFAschuropF* linopR_F = new EOFAschuropF(*RopF);
+
+#if 1
+    //Note reusing user_params.eofa_l.action(|md)_mixcg_inner_tolerance  as Delta for now
+    EOFA_relupCG* ActionMCG_L = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    EOFA_relupCG* ActionMCG_R = new EOFA_relupCG(user_params.eofa_l[i].action_tolerance, user_params.eofa_l[i].action_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+
+    EOFA_relupCG* DerivMCG_L = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    EOFA_relupCG* DerivMCG_R = new EOFA_relupCG(user_params.eofa_l[i].md_tolerance, user_params.eofa_l[i].md_mixcg_inner_tolerance, 50000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+
+#else
+    
+    EOFA_mxCG* ActionMCG_L = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    ActionMCG_L->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* ActionMCG_R = new EOFA_mxCG(user_params.eofa_l[i].action_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    ActionMCG_R->InnerTolerance = user_params.eofa_l[i].action_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_L = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *LopF, *LopD, *linopL_F, *linopL_D);
+    DerivMCG_L->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    EOFA_mxCG* DerivMCG_R = new EOFA_mxCG(user_params.eofa_l[i].md_tolerance, 10000, 1000, UGridF, FrbGridF, *RopF, *RopD, *linopR_F, *linopR_D);
+    DerivMCG_R->InnerTolerance = user_params.eofa_l[i].md_mixcg_inner_tolerance;
+    
+    std::cout << GridLogMessage << "Set EOFA action solver action tolerance outer=" << ActionMCG_L->Tolerance << " inner=" << ActionMCG_L->InnerTolerance << std::endl;
+    std::cout << GridLogMessage << "Set EOFA MD solver tolerance outer=" << DerivMCG_L->Tolerance << " inner=" << DerivMCG_L->InnerTolerance << std::endl;
+#endif
+
+    
+    EOFAmixPrecPFaction* EOFA = new EOFAmixPrecPFaction(*LopF, *RopF,
+							*LopD, *RopD, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*ActionMCG_L, *ActionMCG_R, 
+							*DerivMCG_L, *DerivMCG_R, 
+							user_params.eofa_l[i].rat_params, true);
+    EOFA_pfactions[i] = EOFA;
+    Level1.push_back(EOFA);
+  }
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*UGridD,*UrbGridD, pv_mass,M5,mob_b,mob_c,Params);
+
+  FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF,strange_mass,M5,mob_b,mob_c,Params);
+  FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*UGridF,*UrbGridF, pv_mass,M5,mob_b,mob_c,Params);
+
+  RationalActionParams rat_act_params_s;
+  rat_act_params_s.inv_pow  = 4; // (M^dag M)^{1/4}
+  rat_act_params_s.precision= 60;
+  rat_act_params_s.MaxIter  = 10000;
+  user_params.rat_quo_s.Export(rat_act_params_s);
+  std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_s.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  //MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq); 
+  DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s); 
+  Level1.push_back(&Quotient_s);  
+
+  ///////////////////////////////////
+  // DSDR action
+  ///////////////////////////////////
+  RealD dsdr_mass=-1.8;   
+  //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+  RealD dsdr_epsilon_f = 0.02; //numerator (in determinant)
+  RealD dsdr_epsilon_b = 0.5; 
+  GparityWilsonTMFermionD Numerator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_f, Params);
+  GparityWilsonTMFermionF Numerator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_f, Params);
+
+  GparityWilsonTMFermionD Denominator_DSDR_D(Ud, *UGridD, *UrbGridD, dsdr_mass, dsdr_epsilon_b, Params);
+  GparityWilsonTMFermionF Denominator_DSDR_F(Uf, *UGridF, *UrbGridF, dsdr_mass, dsdr_epsilon_b, Params);
+ 
+  RationalActionParams rat_act_params_DSDR;
+  rat_act_params_DSDR.inv_pow  = 2; // (M^dag M)^{1/2}
+  rat_act_params_DSDR.precision= 60;
+  rat_act_params_DSDR.MaxIter  = 10000;
+  user_params.rat_quo_DSDR.Export(rat_act_params_DSDR);
+  std::cout << GridLogMessage << "DSDR quark bounds check every " << rat_act_params_DSDR.BoundsCheckFreq << " trajectories (avg)" << std::endl;
+
+  DoublePrecRHMC Quotient_DSDR(Denominator_DSDR_D, Numerator_DSDR_D, rat_act_params_DSDR);
+  Level2.push_back(&Quotient_DSDR);
+
+  /////////////////////////////////////////////////////////////
+  // Gauge action
+  /////////////////////////////////////////////////////////////
+  Level3.push_back(&GaugeAction);
+
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  TheHMC.TheAction.push_back(Level3);
+  std::cout << GridLogMessage << " Action complete "<< std::endl;
+
+
+  //Action tuning
+  bool 
+    tune_rhmc_s=false, eigenrange_s=false, 
+    tune_rhmc_DSDR=false, eigenrange_DSDR=false, 
+    check_eofa=false, 
+    upper_bound_eofa=false, lower_bound_eofa(false);
+
+  std::string lanc_params_s;
+  std::string lanc_params_DSDR;
+  int tune_rhmc_s_action_or_md;
+  int tune_rhmc_DSDR_action_or_md;
+  int eofa_which_hsb;
+
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--tune_rhmc_s"){
+      assert(i < argc-1);
+      tune_rhmc_s=true;
+      tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_s"){
+      assert(i < argc-1);
+      eigenrange_s=true;
+      lanc_params_s = argv[i+1];
+    }
+    else if(sarg == "--tune_rhmc_DSDR"){
+      assert(i < argc-1);
+      tune_rhmc_DSDR=true;
+      tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
+    }
+    else if(sarg == "--eigenrange_DSDR"){
+      assert(i < argc-1);
+      eigenrange_DSDR=true;
+      lanc_params_DSDR = argv[i+1];
+    }
+    else if(sarg == "--check_eofa"){
+      assert(i < argc-1);
+      check_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]); //-1 indicates all hasenbusch
+      assert(eofa_which_hsb == -1 || (eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb) );
+    }
+    else if(sarg == "--upper_bound_eofa"){
+      assert(i < argc-1);
+      upper_bound_eofa = true;
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+    else if(sarg == "--lower_bound_eofa"){
+      assert(i < argc-1);
+      lower_bound_eofa = true;      
+      eofa_which_hsb = std::stoi(argv[i+1]);
+      assert(eofa_which_hsb >= 0 && eofa_which_hsb < n_light_hsb);
+    }
+  }
+  if(tune_rhmc_s || eigenrange_s || tune_rhmc_DSDR || eigenrange_DSDR ||check_eofa || upper_bound_eofa || lower_bound_eofa) {
+    std::cout << GridLogMessage << "Running checks" << std::endl;
+    TheHMC.initializeGaugeFieldAndRNGs(Ud);
+
+    //std::cout << GridLogMessage << "EOFA action solver action tolerance outer=" << ActionMCG_L.Tolerance << " inner=" << ActionMCG_L.InnerTolerance << std::endl;
+    //std::cout << GridLogMessage << "EOFA MD solver tolerance outer=" << DerivMCG_L.Tolerance << " inner=" << DerivMCG_L.InnerTolerance << std::endl;
+
+
+    if(check_eofa){
+      if(eofa_which_hsb >= 0){
+	std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+	checkEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << eofa_which_hsb << std::endl;
+      }else{
+	for(int i=0;i<n_light_hsb;i++){
+	  std::cout << GridLogMessage << "Starting checking EOFA Hasenbusch " << i << std::endl;
+	  checkEOFA(*EOFA_pfactions[i], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+	  std::cout << GridLogMessage << "Finished checking EOFA Hasenbusch " << i << std::endl;
+	}
+      }
+    }	  
+    if(upper_bound_eofa) upperBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(lower_bound_eofa) lowerBoundEOFA(*EOFA_pfactions[eofa_which_hsb], FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
+    if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange",  tune_rhmc_s_action_or_md);
+    if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
+    if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
+
+
+    std::cout << GridLogMessage << " Done" << std::endl;
+    Grid_finalize();
+    return 0;
+  }
+
+
+  //Run the HMC
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.Run();
+
+  std::cout << GridLogMessage << " Done" << std::endl;
+  Grid_finalize();
+  return 0;
+} // main

scripts/hmc.sh

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

tests/IO/Test_field_array_io.cc

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

tests/core/Test_fft.cc

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

tests/core/Test_fft_gfix.cc

@@ -29,14 +29,10 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/Grid.h>
 
 using namespace Grid;
- ;
 
-int main (int argc, char ** argv)
+template<typename Gimpl>
-{
+void run(double alpha, bool do_fft_gfix){
   std::vector<int> seeds({1,2,3,4});
-
-  Grid_init(&argc,&argv);
-
   int threads = GridThread::GetThreads();
 
   Coordinate latt_size   = GridDefaultLatt();
@@ -55,10 +51,7 @@ int main (int argc, char ** argv)
   FFT theFFT(&GRID);
 
   std::cout<<GridLogMessage << "Grid is setup to use "<<threads<<" threads"<<std::endl;
-
+  std::cout<<GridLogMessage << "Using alpha=" << alpha << std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
-  std::cout<< "* Testing we can gauge fix steep descent a RGT of Unit gauge    *" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
 
   //  int coulomb_dir = -1;
   int coulomb_dir = Nd-1;
@@ -73,80 +66,164 @@ int main (int argc, char ** argv)
   LatticeColourMatrix   xform2(&GRID); // Gauge xform
   LatticeColourMatrix   xform3(&GRID); // Gauge xform
 
+  //#########################################################################################
+
+  std::cout<< "*********************************************************************************************************" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to Landau gauge with randomly transformed unit gauge configuration    *" <<std::endl;
+  std::cout<< "*********************************************************************************************************" <<std::endl;
+  
   SU<Nc>::ColdConfiguration(pRNG,Umu); // Unit gauge
   Uorg=Umu;
+
+  Real init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
+
+  //Apply a random gauge transformation to the unit gauge config
   Urnd=Umu;
+  SU<Nc>::RandomGaugeTransform<Gimpl>(pRNG,Urnd,g);
 
-  SU<Nc>::RandomGaugeTransform(pRNG,Urnd,g); // Unit gauge
+  //Gauge fix the randomly transformed field 
-
-  Real plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
-
-  Real alpha=0.1;
-
   Umu = Urnd;
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
 
   // Check the gauge xform matrices
   Utmp=Urnd;
-  SU<Nc>::GaugeTransform(Utmp,xform1);
+  SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform1);
   Utmp = Utmp - Umu;
-  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
+  std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
   
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  Real plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
   Uorg = Uorg - Umu;
-  std::cout << " Norm Difference "<< norm2(Uorg) << std::endl;
+  std::cout << " Norm difference between a unit gauge configuration and the gauge fixed configuration "<< norm2(Uorg) << " (expect 0)" << std::endl;
-  std::cout << " Norm "<< norm2(Umu) << std::endl;
+  std::cout << " Norm of gauge fixed configuration "<< norm2(Umu) << std::endl;
 
-
+  //#########################################################################################
-  std::cout<< "*****************************************************************" <<std::endl;
+  if(do_fft_gfix){
-  std::cout<< "* Testing Fourier accelerated fixing                            *" <<std::endl;
+    std::cout<< "*************************************************************************************" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with unit gauge configuration  *" <<std::endl;
+    std::cout<< "*************************************************************************************" <<std::endl;
     Umu=Urnd;
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
 
     Utmp=Urnd;
-  SU<Nc>::GaugeTransform(Utmp,xform2);
+    SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform2);
     Utmp = Utmp - Umu;
-  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
+    std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
 
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+  //#########################################################################################
 
-  std::cout<< "*****************************************************************" <<std::endl;
+  std::cout<< "******************************************************************************************" <<std::endl;
-  std::cout<< "* Testing non-unit configuration                                *" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to Landau gauge with random configuration             **" <<std::endl;
-  std::cout<< "*****************************************************************" <<std::endl;
+  std::cout<< "******************************************************************************************" <<std::endl;
 
-  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
+  SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
 
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,true);
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,false);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << std::endl;
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
-  std::cout<< "*****************************************************************" <<std::endl;
+  //#########################################################################################
-  std::cout<< "* Testing Fourier accelerated fixing to coulomb gauge           *" <<std::endl;
+  if(do_fft_gfix){
-  std::cout<< "*****************************************************************" <<std::endl;
+    std::cout<< "******************************************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with random configuration          **" <<std::endl;
+    std::cout<< "******************************************************************************************" <<std::endl;
+
+    SU<Nc>::HotConfiguration(pRNG,Umu);
+
+    init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Initial plaquette "<< init_plaq << std::endl;
+
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,true);
+
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+  //#########################################################################################
+  
+  std::cout<< "*******************************************************************************************" <<std::endl;
+  std::cout<< "* Testing steepest descent fixing to coulomb gauge with random configuration           *" <<std::endl;
+  std::cout<< "*******************************************************************************************" <<std::endl;
 
   Umu=Urnd;
-  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
+  SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<<plaq << std::endl;
+  std::cout << " Initial plaquette "<< init_plaq << std::endl;
 
-  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,true,coulomb_dir);
+  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,false,coulomb_dir);
 
-  std::cout << Umu<<std::endl;
+  plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
 
-  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+
-  std::cout << " Final plaquette "<<plaq << std::endl;
+  //#########################################################################################
+  if(do_fft_gfix){
+    std::cout<< "*******************************************************************************************" <<std::endl;
+    std::cout<< "* Testing Fourier accelerated fixing to coulomb gauge with random configuration           *" <<std::endl;
+    std::cout<< "*******************************************************************************************" <<std::endl;
+
+    Umu=Urnd;
+    SU<Nc>::HotConfiguration(pRNG,Umu);
+
+    init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Initial plaquette "<< init_plaq << std::endl;
+
+    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,true,coulomb_dir);
+
+    plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
+    std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  }
+}
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  double alpha=0.1; //step size
+  std::string gimpl = "periodic";
+  bool do_fft_gfix = true; //test fourier transformed gfix as well as steepest descent
+  for(int i=1;i<argc;i++){
+    std::string sarg(argv[i]);
+    if(sarg == "--gimpl"){
+      assert(i<argc-1 && "--gimpl option requires an argument");
+      gimpl = argv[i+1];
+      if(gimpl != "periodic" && gimpl != "conjugate")
+	assert(0 && "Invalid gimpl");
+    }else if(sarg == "--no-fft-gfix"){
+      std::cout << "Not doing the Fourier accelerated gauge fixing tests" << std::endl;
+      do_fft_gfix = false;
+    }else if(sarg == "--alpha"){
+      assert(i<argc-1 && "--alpha option requires an argument");
+      std::istringstream ss(argv[i+1]); ss >> alpha;
+    }
+  }
+
+
+  if(gimpl == "periodic"){
+    std::cout << GridLogMessage << "Using periodic boundary condition" << std::endl;
+    run<PeriodicGimplR>(alpha, do_fft_gfix);
+  }else{
+    std::vector<int> conjdirs = {1,1,0,0}; //test with 2 conjugate dirs and 2 not
+    std::cout << GridLogMessage << "Using complex conjugate boundary conditions in dimensions ";
+    for(int i=0;i<Nd;i++)
+      if(conjdirs[i])
+	std::cout << i << " ";   
+    std::cout << std::endl;
+
+    ConjugateGimplR::setDirections(conjdirs);
+    run<ConjugateGimplR>(alpha, do_fft_gfix);
+  }
   
   Grid_finalize();
 }

tests/core/Test_gamma.cc

@@ -228,6 +228,59 @@ void checkGammaL(const Gamma::Algebra a, GridSerialRNG &rng)
   std::cout << std::endl;
 }
 
+void checkChargeConjMatrix(){
+  //Check the properties of the charge conjugation matrix
+  //In the Grid basis C = -\gamma^2 \gamma^4
+  SpinMatrix C = testAlgebra[Gamma::Algebra::MinusGammaY] * testAlgebra[Gamma::Algebra::GammaT];
+  SpinMatrix mC = -C;
+  SpinMatrix one = testAlgebra[Gamma::Algebra::Identity];
+
+  std::cout << "Testing properties of charge conjugation matrix C = -\\gamma^2 \\gamma^4 (in Grid's basis)" << std::endl;
+
+  //C^T = -C
+  SpinMatrix Ct = transpose(C);
+  std::cout << GridLogMessage << "C^T=-C ";
+  test(Ct, mC);
+  std::cout << std::endl;
+
+  //C^\dagger = -C
+  SpinMatrix Cdag = adj(C);
+  std::cout << GridLogMessage << "C^dag=-C ";
+  test(Cdag, mC);
+  std::cout << std::endl;
+
+  //C^* = C
+  SpinMatrix Cstar = conjugate(C);
+  std::cout << GridLogMessage << "C^*=C ";
+  test(Cstar, C);
+  std::cout << std::endl;
+
+  //C^{-1} = -C
+  SpinMatrix CinvC = mC * C;
+  std::cout << GridLogMessage << "C^{-1}=-C ";
+  test(CinvC, one);
+  std::cout << std::endl;
+
+  // C^{-1} \gamma^\mu C = -[\gamma^\mu]^T
+  Gamma::Algebra gmu_a[4] = { Gamma::Algebra::GammaX, Gamma::Algebra::GammaY, Gamma::Algebra::GammaZ, Gamma::Algebra::GammaT };
+  for(int mu=0;mu<4;mu++){
+    SpinMatrix gmu = testAlgebra[gmu_a[mu]];
+    SpinMatrix Cinv_gmu_C = mC * gmu * C;
+    SpinMatrix mgmu_T = -transpose(gmu);
+    std::cout << GridLogMessage << "C^{-1} \\gamma^" << mu << " C = -[\\gamma^" << mu << "]^T ";
+    test(Cinv_gmu_C, mgmu_T);
+    std::cout << std::endl;
+  }
+  
+  //[C, \gamma^5] = 0
+  SpinMatrix Cg5 = C * testAlgebra[Gamma::Algebra::Gamma5];
+  SpinMatrix g5C = testAlgebra[Gamma::Algebra::Gamma5] * C;
+  std::cout << GridLogMessage << "C \\gamma^5 = \\gamma^5 C";
+  test(Cg5, g5C);
+  std::cout << std::endl;
+}
+
+
 int main(int argc, char *argv[])
 {
   Grid_init(&argc,&argv);
@@ -271,6 +324,13 @@ int main(int argc, char *argv[])
     checkGammaL(i, sRNG);
   }
 
+  std::cout << GridLogMessage << "======== Charge conjugation matrix check" << std::endl;
+  checkChargeConjMatrix();
+  std::cout << GridLogMessage << std::endl;
+  
+
+
+  
   Grid_finalize();
   
   return EXIT_SUCCESS;

tests/core/Test_gparity.cc

@@ -55,6 +55,7 @@ static_assert(same_vComplex == 1, "Dirac Operators must have same underlying SIM
 int main (int argc, char ** argv)
 {
   int nu = 0;
+  int tbc_aprd = 0; //use antiperiodic BCs in the time direction?
   
   Grid_init(&argc,&argv);
 
@@ -62,6 +63,9 @@ int main (int argc, char ** argv)
     if(std::string(argv[i]) == "--Gparity-dir"){
       std::stringstream ss; ss << argv[i+1]; ss >> nu;
       std::cout << GridLogMessage << "Set Gparity direction to " << nu << std::endl;
+    }else if(std::string(argv[i]) == "--Tbc-APRD"){
+      tbc_aprd = 1;
+      std::cout << GridLogMessage << "Using antiperiodic BCs in the time direction" << std::endl;
     }
   }
 
@@ -155,13 +159,18 @@ int main (int argc, char ** argv)
 
   //Coordinate grid for reference
   LatticeInteger    xcoor_1f5(FGrid_1f);
-  LatticeCoordinate(xcoor_1f5,1+nu);
+  LatticeCoordinate(xcoor_1f5,1+nu); //note '1+nu'! This is because for 5D fields the s-direction is direction 0
   Replicate(src,src_1f);
   src_1f   = where( xcoor_1f5 >= Integer(L), 2.0*src_1f,src_1f );
 
   RealD mass=0.0;
   RealD M5=1.8;
-  StandardDiracOp Ddwf(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5 DOP_PARAMS);
+
+  //Standard Dirac op
+  AcceleratorVector<Complex,4> bc_std(Nd, 1.0);
+  if(tbc_aprd) bc_std[Nd-1] = -1.; //antiperiodic time BC
+  StandardDiracOp::ImplParams std_params(bc_std);
+  StandardDiracOp Ddwf(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5 DOP_PARAMS, std_params);
 
   StandardFermionField    src_o_1f(FrbGrid_1f);
   StandardFermionField result_o_1f(FrbGrid_1f);
@@ -172,9 +181,11 @@ int main (int argc, char ** argv)
   ConjugateGradient<StandardFermionField> CG(1.0e-8,10000);
   CG(HermOpEO,src_o_1f,result_o_1f);
   
-  //  const int nu = 3;
+  //Gparity Dirac op
   std::vector<int> twists(Nd,0);
   twists[nu] = 1;
+  if(tbc_aprd) twists[Nd-1] = 1;
+
   GparityDiracOp::ImplParams params;
   params.twists = twists;
   GparityDiracOp GPDdwf(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f,mass,M5 DOP_PARAMS,params);
@@ -271,8 +282,11 @@ int main (int argc, char ** argv)
   std::cout << "2f cb "<<result_o_2f.Checkerboard()<<std::endl;
   std::cout << "1f cb "<<result_o_1f.Checkerboard()<<std::endl;
 
-  std::cout << " result norms " <<norm2(result_o_2f)<<" " <<norm2(result_o_1f)<<std::endl;
+  //Compare norms
+  std::cout << " result norms 2f: " <<norm2(result_o_2f)<<" 1f: " <<norm2(result_o_1f)<<std::endl;
 
+
+  //Take the 2f solution and convert into the corresponding 1f solution (odd cb only)
   StandardFermionField    res0o  (FrbGrid_2f); 
   StandardFermionField    res1o  (FrbGrid_2f); 
   StandardFermionField    res0  (FGrid_2f); 
@@ -281,12 +295,13 @@ int main (int argc, char ** argv)
   res0=Zero();
   res1=Zero();
 
-  res0o = PeekIndex<0>(result_o_2f,0);
+  res0o = PeekIndex<0>(result_o_2f,0); //flavor 0, odd cb
-  res1o = PeekIndex<0>(result_o_2f,1);
+  res1o = PeekIndex<0>(result_o_2f,1); //flavor 1, odd cb
 
   std::cout << "res cb "<<res0o.Checkerboard()<<std::endl;
   std::cout << "res cb "<<res1o.Checkerboard()<<std::endl;
 
+  //poke odd onto non-cb field
   setCheckerboard(res0,res0o); 
   setCheckerboard(res1,res1o); 
 
@@ -296,12 +311,13 @@ int main (int argc, char ** argv)
   Replicate(res0,replica0);
   Replicate(res1,replica1);
 
+  //2nd half of doubled lattice has f=1
   replica = where( xcoor_1f5 >= Integer(L), replica1,replica0 );
 
   replica0 = Zero();
   setCheckerboard(replica0,result_o_1f);
 
-  std::cout << "Norm2 solutions is " <<norm2(replica)<<" "<< norm2(replica0)<<std::endl;
+  std::cout << "Norm2 solutions 1f reconstructed from 2f: " <<norm2(replica)<<" Actual 1f: "<< norm2(replica0)<<std::endl;
 
   replica = replica - replica0;
   

tests/core/Test_gparity_flavour.cc

@@ -0,0 +1,177 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid 
+
+Source file: ./tests/Test_gparity_flavour.cc
+
+Copyright (C) 2015-2017
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+static constexpr double                      tolerance = 1.0e-6;
+static std::array<GparityFlavourMatrix, GparityFlavour::nSigma> testAlgebra;
+
+void print(const GparityFlavourMatrix &g)
+{
+  for(int i = 0; i < Ngp; i++)
+  {
+    std::cout << GridLogMessage << "(";
+    for(int j=0;j<Ngp;j++){
+      if ( abs( g(i,j)()() ) == 0 ) {
+        std::cout<< " 0";
+      } else if ( abs(g(i,j)()() - Complex(0,1)) == 0){
+        std::cout<< " i";
+      } else if ( abs(g(i,j)()() + Complex(0,1)) == 0){
+        std::cout<< "-i";
+      } else if ( abs(g(i,j)()() - Complex(1,0)) == 0){
+        std::cout<< " 1";
+      } else if ( abs(g(i,j)()() + Complex(1,0)) == 0){
+        std::cout<< "-1";
+      }
+      std::cout<<((j == Ngp-1) ? ")" : "," );
+    }
+    std::cout << std::endl;
+  }
+  std::cout << GridLogMessage << std::endl;
+}
+
+void createTestAlgebra(void)
+{
+  std::array<GparityFlavourMatrix, 3> testg;
+  const Complex             I(0., 1.), mI(0., -1.);
+
+  // 0 1
+  // 1 0
+  testg[0] = Zero();
+  testg[0](0, 1)()() = 1.;
+  testg[0](1, 0)()() = 1.;
+  std::cout << GridLogMessage << "test SigmaX= " << std::endl;
+  print(testg[0]);
+
+  // 0 -i
+  // i  0
+  testg[1] = Zero();
+  testg[1](0, 1)()() = mI;
+  testg[1](1, 0)()() = I;
+  std::cout << GridLogMessage << "test SigmaY= " << std::endl;
+  print(testg[1]);
+
+  // 1  0
+  // 0 -1
+  testg[2] = Zero();
+  testg[2](0, 0)()() = 1.0;
+  testg[2](1, 1)()() = -1.0;
+  std::cout << GridLogMessage << "test SigmaZ= " << std::endl;
+  print(testg[2]);
+
+  
+#define DEFINE_TEST_G(g, exp)\
+testAlgebra[GparityFlavour::Algebra::g]        = exp; \
+testAlgebra[GparityFlavour::Algebra::Minus##g] = -exp;
+  
+  DEFINE_TEST_G(SigmaX      , testg[0]);
+  DEFINE_TEST_G(SigmaY      , testg[1]);
+  DEFINE_TEST_G(SigmaZ      , testg[2]);
+  DEFINE_TEST_G(Identity    , 1.);
+
+  GparityFlavourMatrix pplus;
+  pplus = 1.0;
+  pplus = pplus + testg[1];
+  pplus = pplus * 0.5;
+
+  DEFINE_TEST_G(ProjPlus    , pplus);
+  
+  GparityFlavourMatrix pminus;
+  pminus = 1.0;
+  pminus = pminus - testg[1];
+  pminus = pminus * 0.5;
+
+  DEFINE_TEST_G(ProjMinus    , pminus);
+
+#undef DEFINE_TEST_G
+}
+
+template <typename Expr>
+void test(const Expr &a, const Expr &b)
+{
+  if (norm2(a - b) < tolerance)
+  {
+    std::cout << "[OK] ";
+  }
+  else
+  {
+    std::cout << "[fail]" << std::endl;
+    std::cout << GridLogError << "a= " << a << std::endl;
+    std::cout << GridLogError << "is different (tolerance= " << tolerance << ") from " << std::endl;
+    std::cout << GridLogError << "b= " << b << std::endl;
+    exit(EXIT_FAILURE);
+  }
+}
+
+void checkSigma(const GparityFlavour::Algebra a, GridSerialRNG &rng)
+{
+  GparityFlavourVector v;
+  GparityFlavourMatrix m, &testg = testAlgebra[a];
+  GparityFlavour      g(a);
+  
+  random(rng, v);
+  random(rng, m);
+  
+  std::cout << GridLogMessage << "Checking " << GparityFlavour::name[a] << ": ";
+  std::cout << "vecmul ";
+  test(g*v, testg*v);
+  std::cout << "matlmul ";
+  test(g*m, testg*m);
+  std::cout << "matrmul ";
+  test(m*g, m*testg);
+  std::cout << std::endl;
+}
+
+int main(int argc, char *argv[])
+{
+  Grid_init(&argc,&argv);
+  
+  Coordinate latt_size   = GridDefaultLatt();
+  Coordinate simd_layout = GridDefaultSimd(4,vComplex::Nsimd());
+  Coordinate mpi_layout  = GridDefaultMpi();
+  
+  GridCartesian Grid(latt_size,simd_layout,mpi_layout);
+  GridSerialRNG sRNG;
+  
+  sRNG.SeedFixedIntegers(std::vector<int>({45,12,81,9}));
+  
+  std::cout << GridLogMessage << "======== Test algebra" << std::endl;
+  createTestAlgebra();
+  std::cout << GridLogMessage << "======== Multiplication operators check" << std::endl;
+  for (int i = 0; i < GparityFlavour::nSigma; ++i)
+  {
+    checkSigma(i, sRNG);
+  }
+  std::cout << GridLogMessage << std::endl;
+  
+  Grid_finalize();
+  
+  return EXIT_SUCCESS;
+}

tests/core/Test_precision_change.cc

@@ -0,0 +1,114 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/core/Test_precision_change.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+
+int main (int argc, char ** argv){
+  Grid_init(&argc, &argv);
+  int Ls = 16;
+  std::cout << GridLogMessage << "Lattice dimensions: " << GridDefaultLatt() << " and Ls=" << Ls << std::endl;
+  GridCartesian* UGrid_d = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexD::Nsimd()), GridDefaultMpi());
+  GridCartesian* FGrid_d = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_d);
+  GridRedBlackCartesian* FrbGrid_d = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_d);
+
+  GridCartesian* UGrid_f = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridCartesian* FGrid_f = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_f);
+  GridRedBlackCartesian* FrbGrid_f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_f);
+
+
+  std::vector<int> seeds4({1, 2, 3, 4});
+  std::vector<int> seeds5({5, 6, 7, 8});
+  GridParallelRNG RNG5(FGrid_d);
+  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid_d);
+  RNG4.SeedFixedIntegers(seeds4);
+
+  //Gauge fields
+  LatticeGaugeFieldD Umu_d(UGrid_d);
+  LatticeGaugeFieldF Umu_f(UGrid_f);
+  LatticeGaugeFieldD Umu_d_r(UGrid_d);
+  LatticeGaugeFieldD Utmp_d(UGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG4, Umu_d);
+
+    precisionChange(Umu_f, Umu_d);
+    std::cout << GridLogMessage << "Norm of double-prec and single-prec gauge fields (should be ~equal): " << norm2(Umu_d) << " " << norm2(Umu_f) << std::endl;
+    precisionChange(Umu_d_r, Umu_f);
+    RealD normdiff = axpy_norm(Utmp_d, -1.0, Umu_d_r, Umu_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec gauge fields (should be ~0) = " << normdiff << std::endl;
+  }
+
+  //Fermion fields
+  LatticeFermionD psi_d(FGrid_d);
+  LatticeFermionF psi_f(FGrid_f);
+  LatticeFermionD psi_d_r(FGrid_d);
+  LatticeFermionD psi_tmp_d(FGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG5, psi_d);
+
+    precisionChange(psi_f, psi_d);
+    std::cout << GridLogMessage << "Norm of double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_d) << " " << norm2(psi_f) << std::endl;
+    precisionChange(psi_d_r, psi_f);
+    RealD normdiff = axpy_norm(psi_tmp_d, -1.0, psi_d_r, psi_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+  }
+
+  //Checkerboarded fermion fields
+  LatticeFermionD psi_cb_d(FrbGrid_d);
+  LatticeFermionF psi_cb_f(FrbGrid_f);
+  LatticeFermionD psi_cb_d_r(FrbGrid_d);
+  LatticeFermionD psi_cb_tmp_d(FrbGrid_d);
+
+  for(int i=0;i<5;i++){
+    random(RNG5, psi_d);
+    pickCheckerboard(Odd, psi_cb_d, psi_d);
+     
+    precisionChange(psi_cb_f, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of odd-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
+    precisionChange(psi_cb_d_r, psi_cb_f);
+    RealD normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted odd-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+
+
+    pickCheckerboard(Even, psi_cb_d, psi_d);
+     
+    precisionChange(psi_cb_f, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of even-cb double-prec and single-prec fermion fields (should be ~equal): " << norm2(psi_cb_d) << " " << norm2(psi_cb_f) << std::endl;
+    precisionChange(psi_cb_d_r, psi_cb_f);
+    normdiff = axpy_norm(psi_cb_tmp_d, -1.0, psi_cb_d_r, psi_cb_d);
+    std::cout << GridLogMessage << "Norm of difference of back-converted even-cb double-prec fermion fields (should be ~0)= " << normdiff << std::endl;
+  }
+
+
+
+  Grid_finalize();
+}

tests/forces/Test_dwf_gpforce.cc

@@ -71,26 +71,14 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   RealD mass=0.2; //kills the diagonal term
   RealD M5=1.8;
-  //  const int nu = 3;
-  //  std::vector<int> twists(Nd,0); // twists[nu] = 1;
-  //  GparityDomainWallFermionR::ImplParams params;  params.twists = twists;
-  //  GparityDomainWallFermionR Ddwf(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,params);
 
-  //  DomainWallFermionR Dw     (U,     Grid,RBGrid,mass,M5);
+  const int nu = 0; //gparity direction
-
-  const int nu = 3;
   std::vector<int> twists(Nd,0);
   twists[nu] = 1;
+  twists[Nd-1] = 1; //antiperiodic in time
   GparityDomainWallFermionR::ImplParams params;
   params.twists = twists;
  
-  /*
-  params.boundary_phases[0] = 1.0;
-  params.boundary_phases[1] = 1.0;
-  params.boundary_phases[2] = 1.0;
-  params.boundary_phases[3] =- 1.0;
-  */
-  
   GparityDomainWallFermionR Dw(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,params);
 
   Dw.M   (phi,Mphi);

tests/forces/Test_gpdwf_force.cc

@@ -71,8 +71,10 @@ int main (int argc, char ** argv)
   RealD mass=0.01; 
   RealD M5=1.8; 
 
-  const int nu = 3;
+  const int nu = 1;
-  std::vector<int> twists(Nd,0);  twists[nu] = 1;
+  std::vector<int> twists(Nd,0);
+  twists[nu] = 1;
+  twists[3] = 1;
   GparityDomainWallFermionR::ImplParams params;  params.twists = twists;
   GparityDomainWallFermionR Ddwf(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,params);
   Ddwf.M   (phi,Mphi);
@@ -91,16 +93,28 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   // Modify the gauge field a little 
   ////////////////////////////////////
-  RealD dt = 0.0001;
+  RealD dt = 0.01;
 
+  LatticeColourMatrix zz(UGrid); zz=Zero();
   LatticeColourMatrix mommu(UGrid); 
   LatticeColourMatrix forcemu(UGrid); 
   LatticeGaugeField mom(UGrid); 
   LatticeGaugeField Uprime(UGrid); 
 
+  const int Lnu=latt_size[nu];
+  Lattice<iScalar<vInteger> > coor(UGrid);
+  LatticeCoordinate(coor,nu);
   for(int mu=0;mu<Nd;mu++){
 
-    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu); // Traceless antihermitian momentum; gaussian in lie alg
+    // Traceless antihermitian momentum; gaussian in lie alg
+    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu);
+    if(0){
+      if(mu==nu){
+	mommu=where(coor==Lnu-1,mommu,zz);
+      } else {
+	mommu=Zero();
+      }
+    }
 
     PokeIndex<LorentzIndex>(mom,mommu,mu);
 
@@ -125,6 +139,12 @@ int main (int argc, char ** argv)
 
   ComplexD Sprime    = innerProduct(MphiPrime   ,MphiPrime);
 
+
+  LatticeComplex lip(FGrid); lip=localInnerProduct(Mphi,Mphi);
+  LatticeComplex lipp(FGrid); lipp=localInnerProduct(MphiPrime,MphiPrime);
+  LatticeComplex dip(FGrid); dip = lipp - lip;
+  std::cout << " dip "<<dip<<std::endl;
+  
   //////////////////////////////////////////////
   // Use derivative to estimate dS
   //////////////////////////////////////////////

tests/forces/Test_gpdwf_force_1f_2f.cc

@@ -0,0 +1,446 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./forces/Test_gpdwf_force_1f_2f.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+
+//Here we test the G-parity action and force between the 1f (doubled-lattice) and 2f approaches 
+
+
+void copyConjGauge(LatticeGaugeFieldD &Umu_1f, const LatticeGaugeFieldD &Umu_2f, const int nu){
+  GridBase* UGrid_2f = Umu_2f.Grid();
+  GridBase* UGrid_1f = Umu_1f.Grid();
+
+  Replicate(Umu_2f,Umu_1f);
+
+  int L_2f = UGrid_2f->FullDimensions()[nu];
+  int L_1f = UGrid_1f->FullDimensions()[nu]; 
+  assert(L_1f == 2 * L_2f);
+
+  //Coordinate grid for reference
+  LatticeInteger xcoor_1f(UGrid_1f);
+  LatticeCoordinate(xcoor_1f,nu);
+
+  //Copy-conjugate the gauge field
+  //First C-shift the lattice by Lx/2
+  {
+    LatticeGaugeField Umu_shift = conjugate( Cshift(Umu_1f,nu,L_2f) );
+    Umu_1f = where( xcoor_1f >= Integer(L_2f), Umu_shift, Umu_1f );
+
+    //We use the in built APBC 
+    //Make the gauge field antiperiodic in nu-direction
+    //decltype(PeekIndex<LorentzIndex>(Umu_1f,nu)) Unu(UGrid_1f);
+    //Unu = PeekIndex<LorentzIndex>(Umu_1f,nu);
+    //Unu = where(xcoor_1f == Integer(2*L_2f-1), -Unu, Unu);
+    //PokeIndex<LorentzIndex>(Umu_1f,Unu,nu);
+  }
+}
+
+template<typename FermionField2f, typename FermionField1f>
+void convertFermion1f_from_2f(FermionField1f &out_1f, const FermionField2f &in_2f, const int nu, bool is_4d){
+  GridBase* FGrid_1f = out_1f.Grid();
+  GridBase* FGrid_2f = in_2f.Grid();
+
+  int nuoff = is_4d ? 0 : 1;   //s in 0 direction
+
+  int L_2f = FGrid_2f->FullDimensions()[nu+nuoff];
+  int L_1f = FGrid_1f->FullDimensions()[nu+nuoff];
+  assert(L_1f == 2 * L_2f);
+  
+  auto in_f0_2fgrid = PeekIndex<GparityFlavourIndex>(in_2f,0); //flavor 0 on 2f Grid
+  FermionField1f in_f0_1fgrid(FGrid_1f);
+  Replicate(in_f0_2fgrid, in_f0_1fgrid); //has flavor 0 on both halves
+
+  auto in_f1_2fgrid = PeekIndex<GparityFlavourIndex>(in_2f,1); //flavor 1 on 2f Grid
+  FermionField1f in_f1_1fgrid(FGrid_1f);
+  Replicate(in_f1_2fgrid, in_f1_1fgrid); //has flavor 1 on both halves
+
+  LatticeInteger xcoor_1f(FGrid_1f);
+  LatticeCoordinate(xcoor_1f,nu+nuoff);
+  
+  out_1f = where(xcoor_1f < L_2f, in_f0_1fgrid, in_f1_1fgrid);
+}
+
+template<typename GparityAction, typename StandardAction>
+class RatioActionSetupBase{
+protected:
+  TwoFlavourEvenOddRatioPseudoFermionAction<WilsonImplD> *pf_1f;
+  TwoFlavourEvenOddRatioPseudoFermionAction<GparityWilsonImplD> *pf_2f;
+
+  GparityAction* action_2f;
+  GparityAction* action_PV_2f;
+  StandardAction* action_1f;
+  StandardAction* action_PV_1f;
+
+  ConjugateGradient<typename StandardAction::FermionField> CG_1f;
+  ConjugateGradient<typename GparityAction::FermionField> CG_2f;
+
+  RatioActionSetupBase(): CG_1f(1.0e-8,10000), CG_2f(1.0e-8,10000){}
+
+  void setupPseudofermion(){
+    pf_1f = new TwoFlavourEvenOddRatioPseudoFermionAction<WilsonImplD>(*action_PV_1f, *action_1f, CG_1f, CG_1f);
+    pf_2f = new TwoFlavourEvenOddRatioPseudoFermionAction<GparityWilsonImplD>(*action_PV_2f, *action_2f, CG_2f, CG_2f);
+  }
+
+public:
+  GparityAction & action2f(){ return *action_2f; }
+  StandardAction & action1f(){ return *action_1f; }
+
+  void refreshAction(LatticeGaugeField &Umu_2f, typename GparityAction::FermionField &eta_2f,
+		     LatticeGaugeField &Umu_1f, typename StandardAction::FermionField &eta_1f){  
+    pf_1f->refresh(Umu_1f, eta_1f);
+    pf_2f->refresh(Umu_2f, eta_2f);
+
+    //Compare PhiOdd
+    RealD norm_1f = norm2(pf_1f->getPhiOdd());
+    RealD norm_2f = norm2(pf_2f->getPhiOdd());
+    
+    std::cout << "Test PhiOdd 2f: " << norm_2f << " 1f: " << norm_1f << std::endl;
+  }
+
+  void computeAction(RealD &S_2f, RealD &S_1f, LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f){
+    S_1f = pf_1f->S(Umu_1f);
+    S_2f = pf_2f->S(Umu_2f);
+  }
+
+  void computeDeriv(LatticeGaugeField &deriv_2f, LatticeGaugeField &deriv_1f, LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f){    
+    pf_1f->deriv(Umu_1f, deriv_1f);
+    pf_2f->deriv(Umu_2f, deriv_2f);
+  }
+
+};
+
+
+
+
+template<typename GparityAction, typename StandardAction>
+struct setupAction{};
+
+template<>
+struct setupAction<GparityWilsonTMFermionD, WilsonTMFermionD>: public RatioActionSetupBase<GparityWilsonTMFermionD, WilsonTMFermionD>{
+  typedef GparityWilsonTMFermionD GparityAction;
+  typedef WilsonTMFermionD StandardAction;
+  
+  setupAction(GridCartesian* UGrid_2f, GridRedBlackCartesian* UrbGrid_2f,  GridCartesian* FGrid_2f, GridRedBlackCartesian* FrbGrid_2f,
+	      GridCartesian* UGrid_1f, GridRedBlackCartesian* UrbGrid_1f,  GridCartesian* FGrid_1f, GridRedBlackCartesian* FrbGrid_1f,
+	      LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f, int nu): RatioActionSetupBase(){
+    RealD mass=-1.8;   
+    //Use same DSDR twists as https://arxiv.org/pdf/1208.4412.pdf
+    RealD epsilon_f = 0.02; //numerator (in determinant)
+    RealD epsilon_b = 0.5; 
+
+    std::vector<int> twists(Nd,0);
+    twists[nu] = 1; //GPBC in y
+    twists[3] = 1; //APBC
+    GparityAction::ImplParams params_2f;  params_2f.twists = twists;
+    action_2f = new GparityWilsonTMFermionD(Umu_2f,*UGrid_2f,*UrbGrid_2f, mass, epsilon_f, params_2f);
+    action_PV_2f = new GparityWilsonTMFermionD(Umu_2f,*UGrid_2f,*UrbGrid_2f, mass, epsilon_b, params_2f);
+
+    DomainWallFermionD::ImplParams params_1f;  
+    params_1f.boundary_phases[nu] = -1; 
+    params_1f.boundary_phases[3] = -1; 
+
+    action_1f = new WilsonTMFermionD(Umu_1f,*UGrid_1f,*UrbGrid_1f, mass, epsilon_f, params_1f);
+    action_PV_1f = new WilsonTMFermionD(Umu_1f,*UGrid_1f,*UrbGrid_1f, mass, epsilon_b, params_1f);
+
+    setupPseudofermion();
+  }
+
+  static bool is4d(){ return true; }
+};
+
+
+template<>
+struct setupAction<GparityDomainWallFermionD, DomainWallFermionD>: public RatioActionSetupBase<GparityDomainWallFermionD, DomainWallFermionD>{
+  typedef GparityDomainWallFermionD GparityAction;
+  typedef DomainWallFermionD StandardAction;
+  
+  setupAction(GridCartesian* UGrid_2f, GridRedBlackCartesian* UrbGrid_2f,  GridCartesian* FGrid_2f, GridRedBlackCartesian* FrbGrid_2f,
+	      GridCartesian* UGrid_1f, GridRedBlackCartesian* UrbGrid_1f,  GridCartesian* FGrid_1f, GridRedBlackCartesian* FrbGrid_1f,
+	      LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f, int nu): RatioActionSetupBase(){
+    RealD mass=0.01;   
+    RealD M5=1.8; 
+
+    std::vector<int> twists(Nd,0);
+    twists[nu] = 1; //GPBC in y
+    twists[3] = 1; //APBC
+    GparityDomainWallFermionD::ImplParams params_2f;  params_2f.twists = twists;
+    action_2f = new GparityDomainWallFermionD(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f,mass,M5,params_2f);
+    action_PV_2f = new GparityDomainWallFermionD(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f,1.0,M5,params_2f);
+
+    DomainWallFermionD::ImplParams params_1f;  
+    params_1f.boundary_phases[nu] = -1; 
+    params_1f.boundary_phases[3] = -1; 
+
+    action_1f = new DomainWallFermionD(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5,params_1f);
+    action_PV_1f = new DomainWallFermionD(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,1.0,M5,params_1f);
+
+    setupPseudofermion();
+  }
+
+  static bool is4d(){ return false; }
+};
+
+
+
+
+
+//For EOFA we need a different pseudofermion type
+template<>
+struct setupAction<GparityDomainWallEOFAFermionD, DomainWallEOFAFermionD>{
+  typedef GparityDomainWallEOFAFermionD GparityAction;
+  typedef DomainWallEOFAFermionD StandardAction;
+
+  ExactOneFlavourRatioPseudoFermionAction<WilsonImplD> *pf_1f;
+  ExactOneFlavourRatioPseudoFermionAction<GparityWilsonImplD> *pf_2f;
+
+  GparityAction* action_2f;
+  GparityAction* action_PV_2f;
+  StandardAction* action_1f;
+  StandardAction* action_PV_1f;
+
+  ConjugateGradient<typename StandardAction::FermionField> CG_1f;
+  ConjugateGradient<typename GparityAction::FermionField> CG_2f;
+
+public:
+  GparityAction & action2f(){ return *action_2f; }
+  StandardAction & action1f(){ return *action_1f; }
+
+  void refreshAction(LatticeGaugeField &Umu_2f, typename GparityAction::FermionField &eta_2f,
+		     LatticeGaugeField &Umu_1f, typename StandardAction::FermionField &eta_1f){  
+    pf_1f->refresh(Umu_1f, eta_1f);
+    pf_2f->refresh(Umu_2f, eta_2f);
+
+    //Compare PhiOdd
+    RealD norm_1f = norm2(pf_1f->getPhi());
+    RealD norm_2f = norm2(pf_2f->getPhi());
+    
+    std::cout << "Test Phi 2f: " << norm_2f << " 1f: " << norm_1f << std::endl;
+  }
+
+  void computeAction(RealD &S_2f, RealD &S_1f, LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f){
+    S_1f = pf_1f->S(Umu_1f);
+    S_2f = pf_2f->S(Umu_2f);
+  }
+
+  void computeDeriv(LatticeGaugeField &deriv_2f, LatticeGaugeField &deriv_1f, LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f){    
+    pf_1f->deriv(Umu_1f, deriv_1f);
+    pf_2f->deriv(Umu_2f, deriv_2f);
+  }
+
+
+  setupAction(GridCartesian* UGrid_2f, GridRedBlackCartesian* UrbGrid_2f,  GridCartesian* FGrid_2f, GridRedBlackCartesian* FrbGrid_2f,
+	      GridCartesian* UGrid_1f, GridRedBlackCartesian* UrbGrid_1f,  GridCartesian* FGrid_1f, GridRedBlackCartesian* FrbGrid_1f,
+	      LatticeGaugeField &Umu_2f, LatticeGaugeField &Umu_1f, int nu): CG_1f(1.0e-8,10000), CG_2f(1.0e-8,10000){
+    RealD mass=0.01;   
+    RealD M5=1.8; 
+
+    std::vector<int> twists(Nd,0);
+    twists[nu] = 1; //GPBC in y
+    twists[3] = 1; //APBC
+    GparityAction::ImplParams params_2f;  params_2f.twists = twists;
+    action_2f = new GparityAction(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f, mass, mass, 1.0, 0.0, -1, M5, params_2f);
+    action_PV_2f = new GparityAction(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f,*UrbGrid_2f, 1.0, mass, 1.0, -1.0, 1, M5, params_2f); //cf Test_dwf_gpforce_eofa.cc
+
+    StandardAction::ImplParams params_1f;  
+    params_1f.boundary_phases[nu] = -1; 
+    params_1f.boundary_phases[3] = -1; 
+
+    action_1f = new StandardAction(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f, mass, mass, 1.0, 0.0, -1, M5, params_1f);
+    action_PV_1f = new StandardAction(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f, 1.0, mass, 1.0, -1.0, 1, M5, params_1f);
+
+    OneFlavourRationalParams RationalParams(0.95, 100.0, 5000, 1.0e-12, 12);
+
+    pf_1f = new ExactOneFlavourRatioPseudoFermionAction<WilsonImplD>(*action_1f, *action_PV_1f, CG_1f, CG_1f, CG_1f, CG_1f, CG_1f, RationalParams, true);
+    pf_2f = new ExactOneFlavourRatioPseudoFermionAction<GparityWilsonImplD>(*action_2f, *action_PV_2f, CG_2f, CG_2f, CG_2f, CG_2f, CG_2f, RationalParams, true);
+  }
+
+  static bool is4d(){ return false; }
+};
+
+
+template<typename GparityAction, typename StandardAction>
+void runTest(int argc, char** argv){
+  Grid_init(&argc,&argv);
+
+  const int nu = 1;
+  Coordinate latt_2f   = GridDefaultLatt();
+  Coordinate latt_1f   = latt_2f;
+  latt_1f[nu] *= 2;
+
+  Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+  Coordinate mpi_layout  = GridDefaultMpi();
+
+  const int Ls=8;
+
+  GridCartesian         * UGrid_1f   = SpaceTimeGrid::makeFourDimGrid(latt_1f, simd_layout, mpi_layout);
+  GridRedBlackCartesian * UrbGrid_1f = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_1f);
+  GridCartesian         * FGrid_1f   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_1f);
+  GridRedBlackCartesian * FrbGrid_1f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_1f);
+
+
+  GridCartesian         * UGrid_2f   = SpaceTimeGrid::makeFourDimGrid(latt_2f, simd_layout, mpi_layout);
+  GridRedBlackCartesian * UrbGrid_2f = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_2f);
+  GridCartesian         * FGrid_2f   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_2f);
+  GridRedBlackCartesian * FrbGrid_2f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_2f);
+
+  std::vector<int> seeds4({1,2,3,4});
+  std::vector<int> seeds5({5,6,7,8});
+  GridParallelRNG RNG5_2f(FGrid_2f);  RNG5_2f.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4_2f(UGrid_2f);  RNG4_2f.SeedFixedIntegers(seeds4);
+
+  LatticeGaugeField Umu_2f(UGrid_2f);
+  SU<Nc>::HotConfiguration(RNG4_2f,Umu_2f);
+
+  LatticeGaugeField Umu_1f(UGrid_1f);
+  copyConjGauge(Umu_1f, Umu_2f, nu);
+
+  typedef typename GparityAction::FermionField GparityFermionField;
+  typedef typename StandardAction::FermionField StandardFermionField;
+
+  setupAction<GparityAction, StandardAction> setup(UGrid_2f, UrbGrid_2f, FGrid_2f, FrbGrid_2f,
+						   UGrid_1f, UrbGrid_1f, FGrid_1f, FrbGrid_1f,
+						   Umu_2f, Umu_1f, nu);
+  GridBase* FGrid_2f_a = setup.action2f().FermionGrid();
+  GridBase* FGrid_1f_a = setup.action1f().FermionGrid();
+  GridBase* FrbGrid_2f_a = setup.action2f().FermionRedBlackGrid();
+  GridBase* FrbGrid_1f_a = setup.action1f().FermionRedBlackGrid();
+  bool is_4d = setup.is4d();
+
+  //Check components by doing an inversion
+  {
+    setup.action2f().ImportGauge(Umu_2f);
+    setup.action1f().ImportGauge(Umu_1f);
+
+    GparityFermionField src_2f(FGrid_2f_a);
+    gaussian(is_4d ? RNG4_2f : RNG5_2f, src_2f);
+    
+    StandardFermionField src_1f(FGrid_1f_a);
+    convertFermion1f_from_2f(src_1f, src_2f, nu, is_4d);
+
+    StandardFermionField src_o_1f(FrbGrid_1f_a);
+    StandardFermionField result_o_1f(FrbGrid_1f_a);
+    pickCheckerboard(Odd,src_o_1f,src_1f);
+    result_o_1f=Zero();
+
+    SchurDiagMooeeOperator<StandardAction,StandardFermionField> HermOpEO_1f(setup.action1f());
+    ConjugateGradient<StandardFermionField> CG_1f(1.0e-8,10000);
+    CG_1f(HermOpEO_1f,src_o_1f,result_o_1f);
+
+
+    GparityFermionField src_o_2f(FrbGrid_2f_a);
+    GparityFermionField result_o_2f(FrbGrid_2f_a);
+    pickCheckerboard(Odd,src_o_2f,src_2f);
+    result_o_2f=Zero();
+
+    SchurDiagMooeeOperator<GparityAction,GparityFermionField> HermOpEO_2f(setup.action2f());
+    ConjugateGradient<GparityFermionField> CG_2f(1.0e-8,10000);
+    CG_2f(HermOpEO_2f,src_o_2f,result_o_2f);
+
+    RealD norm_1f = norm2(result_o_1f);
+    RealD norm_2f = norm2(result_o_2f);
+
+    std::cout << "Test fermion inversion 2f: " << norm_2f << " 1f: " << norm_1f << std::endl;
+  }
+
+  //Generate eta
+  RealD scale = std::sqrt(0.5);
+
+  GparityFermionField eta_2f(FGrid_2f_a);    
+  gaussian(is_4d ? RNG4_2f : RNG5_2f,eta_2f); eta_2f = eta_2f * scale;
+
+  StandardFermionField eta_1f(FGrid_1f_a);    
+  convertFermion1f_from_2f(eta_1f, eta_2f, nu, is_4d);
+  
+  setup.refreshAction(Umu_2f, eta_2f, Umu_1f, eta_1f);
+ 
+  //Initial action is just |eta^2|
+  RealD S_1f, S_2f;
+
+  setup.computeAction(S_2f, S_1f, Umu_2f, Umu_1f);
+
+  std::cout << "Test Initial action 2f: " << S_2f << " 1f: " << S_1f << " diff: " << S_2f - S_1f << std::endl;
+
+  //Do a random gauge field refresh
+  SU<Nc>::HotConfiguration(RNG4_2f,Umu_2f);
+  copyConjGauge(Umu_1f, Umu_2f, nu);
+
+  //Compute the action again
+  setup.computeAction(S_2f, S_1f, Umu_2f, Umu_1f);
+  
+  std::cout << "Test Action after gauge field randomize 2f: " << S_2f << " 1f: " << S_1f << " diff: " << S_2f - S_1f << std::endl;
+
+  //Compute the derivative and test the conjugate relation
+  LatticeGaugeField deriv_2f(UGrid_2f);
+  LatticeGaugeField deriv_1f(UGrid_1f);
+  setup.computeDeriv(deriv_2f, deriv_1f, Umu_2f, Umu_1f);
+
+  //Have to combine the two forces on the 1f by symmetrizing under the complex conjugate
+  {
+    RealD norm2_pre = norm2(deriv_1f);
+    LatticeGaugeField deriv_1f_shift = conjugate( Cshift(deriv_1f, nu, latt_2f[nu]) );
+    deriv_1f = deriv_1f + deriv_1f_shift;
+    std::cout << "Test combine/symmetrize forces on 1f lattice, dS/dU : " << norm2_pre << " -> " << norm2(deriv_1f) << std::endl;
+  }
+  
+  LatticeGaugeField deriv_1f_from_2f(UGrid_1f);  
+  copyConjGauge(deriv_1f_from_2f, deriv_2f, nu);
+  std::cout << "Test copy-conj 2f dS/dU to obtain equivalent 1f force : " << norm2(deriv_2f) << " -> " << norm2(deriv_1f_from_2f) << std::endl;
+  
+  LatticeGaugeField diff_deriv_1f = deriv_1f - deriv_1f_from_2f;
+
+  std::cout << "Test dS/dU 1f constructed from 2f derivative: " << norm2(deriv_1f_from_2f) << "  dS/dU 1f actual: " << norm2(deriv_1f) << "  Norm of difference: " << norm2(diff_deriv_1f) << std::endl;
+
+  std::cout<< GridLogMessage << "Done" <<std::endl;
+  Grid_finalize();
+}
+
+
+  
+
+int main (int argc, char ** argv)
+{
+  std::string action = "DWF";
+  for(int i=1;i<argc;i++){
+    if(std::string(argv[i]) == "--action"){
+      action = argv[i+1];
+    }
+  }
+
+  if(action == "DWF"){
+    runTest<GparityDomainWallFermionD, DomainWallFermionD>(argc, argv);
+  }else if(action == "EOFA"){
+    runTest<GparityDomainWallEOFAFermionD, DomainWallEOFAFermionD>(argc, argv);
+  }else if(action == "DSDR"){
+    runTest<GparityWilsonTMFermionD, WilsonTMFermionD>(argc,argv);
+  }else{
+    assert(0);
+  }
+}

tests/forces/Test_gpwilson_force.cc

@@ -64,8 +64,12 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   RealD mass=0.01; 
 
-  const int nu = 3;
+  const int nu = 1;
-  std::vector<int> twists(Nd,0);  twists[nu] = 1;
+  const int Lnu=latt_size[nu];
+
+  std::vector<int> twists(Nd,0);
+  twists[nu] = 1;
+  twists[3]=1;
   GparityWilsonFermionR::ImplParams params;  params.twists = twists;
   GparityWilsonFermionR Wil(U,*UGrid,*UrbGrid,mass,params);
   Wil.M   (phi,Mphi);
@@ -87,15 +91,26 @@ int main (int argc, char ** argv)
   RealD dt = 0.01;
 
   LatticeColourMatrix mommu(UGrid); 
+  LatticeColourMatrix zz(UGrid);
   LatticeColourMatrix forcemu(UGrid); 
   LatticeGaugeField mom(UGrid); 
   LatticeGaugeField Uprime(UGrid); 
 
+  
+  Lattice<iScalar<vInteger> > coor(UGrid);
+  LatticeCoordinate(coor,nu);
+  zz=Zero();
   for(int mu=0;mu<Nd;mu++){
 
     // Traceless antihermitian momentum; gaussian in lie alg
     SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu);
-
+    if(0){
+      if(mu==nu){
+	mommu=where(coor==Lnu-1,mommu,zz);
+      } else {
+	mommu=Zero();
+      }
+    }
     PokeIndex<LorentzIndex>(mom,mommu,mu);
     
     // fourth order exponential approx
@@ -130,6 +145,10 @@ int main (int argc, char ** argv)
     mommu=Ta(mommu)*2.0;
     PokeIndex<LorentzIndex>(UdSdU,mommu,mu);
   }
+  LatticeComplex lip(UGrid); lip=localInnerProduct(Mphi,Mphi);
+  LatticeComplex lipp(UGrid); lipp=localInnerProduct(MphiPrime,MphiPrime);
+  LatticeComplex dip(UGrid); dip = lipp - lip;
+  std::cout << " dip "<<dip<<std::endl;
 
   LatticeComplex dS(UGrid); dS = Zero();
   for(int mu=0;mu<Nd;mu++){
@@ -139,12 +158,14 @@ int main (int argc, char ** argv)
     // Update PF action density
     dS = dS+trace(mommu*forcemu)*dt;
   }
+  std::cout << "mommu"<<mommu<<std::endl;
+  std::cout << "dS" << dS<<std::endl;
   
   ComplexD dSpred    = sum(dS);
 
   std::cout << GridLogMessage << " S      "<<S<<std::endl;
   std::cout << GridLogMessage << " Sprime "<<Sprime<<std::endl;
-  std::cout << GridLogMessage << "dS      "<<Sprime-S<<std::endl;
+  std::cout << GridLogMessage << "Delta S "<<Sprime-S<<std::endl;
   std::cout << GridLogMessage << "predict dS    "<< dSpred <<std::endl;
 
   assert( fabs(real(Sprime-S-dSpred)) < 2.0 ) ;

tests/forces/Test_mobius_force_eofa.cc

@@ -89,7 +89,49 @@ int main (int argc, char** argv)
   ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, CG, CG, CG, CG, Params, false);
 
   GridSerialRNG  sRNG; sRNG.SeedFixedIntegers(seeds4);
+
+  //Check the rational approximation
+  {    
+    RealD scale = std::sqrt(0.5);
+    LatticeFermion eta    (Lop.FermionGrid());
+    gaussian(RNG5,eta); eta = eta * scale;
+
+    Meofa.refresh(U, eta);
+    
+    //Phi = M^{-1/2} eta
+    //M is Hermitian    
+    //(Phi, M Phi) = eta^\dagger  M^{-1/2} M M^{-1/2} eta = eta^\dagger eta
+    LatticeFermion phi = Meofa.getPhi();
+    LatticeFermion Mphi(FGrid);
+    
+    Meofa.Meofa(U, phi, Mphi);
+    std::cout << "Computing inner product" << std::endl;
+    ComplexD inner = innerProduct(phi, Mphi);
+    ComplexD test = inner - norm2(eta);
+    
+    std::cout << "(phi, Mphi) - (eta,eta): " << test << "  expect 0" << std::endl;
+
+    assert(test.real() < 1e-8);
+    assert(test.imag() < 1e-8);
+
+    //Another test is to use heatbath twice to apply M^{-1/2} to Phi then apply M
+    // M  Phi' 
+    //= M M^{-1/2} Phi 
+    //= M M^{-1/2} M^{-1/2} eta 
+    //= eta
+    Meofa.refresh(U, phi);
+    LatticeFermion phi2 = Meofa.getPhi();
+    LatticeFermion test2(FGrid);
+    Meofa.Meofa(U, phi2, test2);
+    test2  = test2 - eta;
+    RealD test2_norm = norm2(test2);
+    std::cout << "|M M^{-1/2} M^{-1/2} eta - eta|^2 = " << test2_norm << " expect 0" << std::endl;
+    assert( test2_norm < 1e-8 );
+  }
+
+
   Meofa.refresh(U, sRNG, RNG5 );
+
   RealD S = Meofa.S(U); // pdag M p
 
   // get the deriv of phidag M phi with respect to "U"

tests/forces/Test_mobius_gparity_eofa_mixed.cc

@@ -0,0 +1,260 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/forces/Test_mobius_gparity_eofa_mixed.cc
+
+Copyright (C) 2017
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: David Murphy <dmurphy@phys.columbia.edu>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+ ;
+
+typedef GparityWilsonImplD FermionImplPolicyD;
+typedef GparityMobiusEOFAFermionD FermionActionD;
+typedef typename FermionActionD::FermionField FermionFieldD;
+
+typedef GparityWilsonImplF FermionImplPolicyF;
+typedef GparityMobiusEOFAFermionF FermionActionF;
+typedef typename FermionActionF::FermionField FermionFieldF;
+
+NAMESPACE_BEGIN(Grid);
+
+  template<class FermionOperatorD, class FermionOperatorF, class SchurOperatorD, class  SchurOperatorF> 
+  class MixedPrecisionConjugateGradientOperatorFunction : public OperatorFunction<typename FermionOperatorD::FermionField> {
+  public:
+    typedef typename FermionOperatorD::FermionField FieldD;
+    typedef typename FermionOperatorF::FermionField FieldF;
+
+    using OperatorFunction<FieldD>::operator();
+
+    RealD   Tolerance;
+    RealD   InnerTolerance; //Initial tolerance for inner CG. Defaults to Tolerance but can be changed
+    Integer MaxInnerIterations;
+    Integer MaxOuterIterations;
+    GridBase* SinglePrecGrid4; //Grid for single-precision fields
+    GridBase* SinglePrecGrid5; //Grid for single-precision fields
+    RealD OuterLoopNormMult; //Stop the outer loop and move to a final double prec solve when the residual is OuterLoopNormMult * Tolerance
+
+    FermionOperatorF &FermOpF;
+    FermionOperatorD &FermOpD;;
+    SchurOperatorF &LinOpF;
+    SchurOperatorD &LinOpD;
+
+    Integer TotalInnerIterations; //Number of inner CG iterations
+    Integer TotalOuterIterations; //Number of restarts
+    Integer TotalFinalStepIterations; //Number of CG iterations in final patch-up step
+
+    MixedPrecisionConjugateGradientOperatorFunction(RealD tol, 
+						    Integer maxinnerit, 
+						    Integer maxouterit, 
+						    GridBase* _sp_grid4, 
+						    GridBase* _sp_grid5, 
+						    FermionOperatorF &_FermOpF,
+						    FermionOperatorD &_FermOpD,
+						    SchurOperatorF   &_LinOpF,
+						    SchurOperatorD   &_LinOpD): 
+      LinOpF(_LinOpF),
+      LinOpD(_LinOpD),
+      FermOpF(_FermOpF),
+      FermOpD(_FermOpD),
+      Tolerance(tol), 
+      InnerTolerance(tol), 
+      MaxInnerIterations(maxinnerit), 
+      MaxOuterIterations(maxouterit), 
+      SinglePrecGrid4(_sp_grid4),
+      SinglePrecGrid5(_sp_grid5),
+      OuterLoopNormMult(100.) 
+    { 
+    };
+
+    void operator()(LinearOperatorBase<FieldD> &LinOpU, const FieldD &src, FieldD &psi) {
+
+      std::cout << GridLogMessage << " Mixed precision CG wrapper operator() "<<std::endl;
+
+      SchurOperatorD * SchurOpU = static_cast<SchurOperatorD *>(&LinOpU);
+      assert(&(SchurOpU->_Mat)==&(LinOpD._Mat));
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Must snarf a single precision copy of the gauge field in Linop_d argument
+      ////////////////////////////////////////////////////////////////////////////////////
+      //typedef typename FermionOperatorF::GaugeField GaugeFieldF;
+      //typedef typename FermionOperatorF::GaugeLinkField GaugeLinkFieldF;
+      //typedef typename FermionOperatorD::GaugeField GaugeFieldD;
+      //typedef typename FermionOperatorD::GaugeLinkField GaugeLinkFieldD;
+
+      //GridBase * GridPtrF = SinglePrecGrid4;
+      //GridBase * GridPtrD = FermOpD.Umu.Grid();
+      //GaugeFieldF     U_f  (GridPtrF);
+      //GaugeLinkFieldF Umu_f(GridPtrF);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Moving this to a Clone method of fermion operator would allow to duplicate the 
+      // physics parameters and decrease gauge field copies
+      ////////////////////////////////////////////////////////////////////////////////////
+
+      //typedef typename std::decay<decltype(PeekIndex<LorentzIndex>(FermOpD.Umu, 0))>::type DoubleS
+
+      //GaugeLinkFieldD Umu_d(GridPtrD);
+      //for(int mu=0;mu<Nd*2;mu++){ 
+      //Umu_d = PeekIndex<LorentzIndex>(FermOpD.Umu, mu);
+      //precisionChange(Umu_f,Umu_d);
+      //PokeIndex<LorentzIndex>(FermOpF.Umu, Umu_f, mu);
+      //}
+
+      precisionChange(FermOpF.Umu, FermOpD.Umu);
+
+      pickCheckerboard(Even,FermOpF.UmuEven,FermOpF.Umu);
+      pickCheckerboard(Odd ,FermOpF.UmuOdd ,FermOpF.Umu);
+
+      ////////////////////////////////////////////////////////////////////////////////////
+      // Make a mixed precision conjugate gradient
+      ////////////////////////////////////////////////////////////////////////////////////
+      MixedPrecisionConjugateGradient<FieldD,FieldF> MPCG(Tolerance,MaxInnerIterations,MaxOuterIterations,SinglePrecGrid5,LinOpF,LinOpD);
+      MPCG.InnerTolerance = InnerTolerance;
+      std::cout << GridLogMessage << "Calling mixed precision Conjugate Gradient" <<std::endl;
+      MPCG(src,psi);
+    }
+  };
+
+NAMESPACE_END(Grid);
+
+
+
+int main (int argc, char** argv)
+{
+  Grid_init(&argc, &argv);
+
+  Coordinate latt_size   = GridDefaultLatt();
+  Coordinate mpi_layout  = GridDefaultMpi();
+
+  const int Ls = 8;
+
+  GridCartesian         *UGridD   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexD::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian *UrbGridD = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridD);
+  GridCartesian         *FGridD   = SpaceTimeGrid::makeFiveDimGrid(Ls, UGridD);
+  GridRedBlackCartesian *FrbGridD = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGridD);
+
+  GridCartesian         *UGridF   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian *UrbGridF = SpaceTimeGrid::makeFourDimRedBlackGrid(UGridF);
+  GridCartesian         *FGridF   = SpaceTimeGrid::makeFiveDimGrid(Ls, UGridF);
+  GridRedBlackCartesian *FrbGridF = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGridF);
+
+  std::vector<int> seeds4({1,2,3,5});
+  std::vector<int> seeds5({5,6,7,8});
+  GridParallelRNG RNG5(FGridD);  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGridD);  RNG4.SeedFixedIntegers(seeds4);
+
+  int threads = GridThread::GetThreads();
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  LatticeGaugeFieldD Ud(UGridD);
+  SU<Nc>::HotConfiguration(RNG4,Ud);
+
+  LatticeGaugeFieldF Uf(UGridF);
+  precisionChange(Uf, Ud);
+
+  RealD b  = 2.5;
+  RealD c  = 1.5;
+  RealD mf = 0.01;
+  RealD mb = 1.0;
+  RealD M5 = 1.8;
+  FermionActionD::ImplParams params;
+  params.twists[0] = 1; //GPBC in X
+  params.twists[Nd-1] = 1; //APRD in T
+
+  std::vector<int> gtwists(4,0);
+  gtwists[0] = 1;
+
+  ConjugateGimplD::setDirections(gtwists);
+
+  FermionActionD LopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, mf, mf, mb, 0.0, -1, M5, b, c, params);
+  FermionActionD RopD(Ud, *FGridD, *FrbGridD, *UGridD, *UrbGridD, mb, mf, mb, -1.0, 1, M5, b, c, params);
+
+  FermionActionF LopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, mf, mf, mb, 0.0, -1, M5, b, c, params);
+  FermionActionF RopF(Uf, *FGridF, *FrbGridF, *UGridF, *UrbGridF, mb, mf, mb, -1.0, 1, M5, b, c, params);
+
+
+  OneFlavourRationalParams OFRp(0.95, 100.0, 5000, 1.0e-12, 12);
+  ConjugateGradient<FermionFieldD> CG(1.0e-10, 10000);
+
+
+  typedef SchurDiagMooeeOperator<FermionActionD,FermionFieldD> EOFAschuropD;
+  typedef SchurDiagMooeeOperator<FermionActionF,FermionFieldF> EOFAschuropF;
+  
+  EOFAschuropD linopL_D(LopD);
+  EOFAschuropD linopR_D(RopD);
+
+  EOFAschuropF linopL_F(LopF);
+  EOFAschuropF linopR_F(RopF);
+
+  typedef MixedPrecisionConjugateGradientOperatorFunction<FermionActionD, FermionActionF, EOFAschuropD, EOFAschuropF> EOFA_mxCG;
+
+  EOFA_mxCG MCG_L(1e-10, 10000, 1000, UGridF, FrbGridF, LopF, LopD, linopL_F, linopL_D);
+  MCG_L.InnerTolerance = 1e-5;
+
+  EOFA_mxCG MCG_R(1e-10, 10000, 1000, UGridF, FrbGridF, RopF, RopD, linopR_F, linopR_D);
+  MCG_R.InnerTolerance = 1e-5;
+
+  ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicyD> MeofaD(LopD, RopD, CG, CG, CG, CG, CG, OFRp, true);
+  ExactOneFlavourRatioMixedPrecHeatbathPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> MeofaMx(LopF, RopF, LopD, RopD, MCG_L, MCG_R, MCG_L, MCG_R, MCG_L, MCG_R, OFRp, true);
+  
+  FermionFieldD eta(FGridD);
+  gaussian(RNG5, eta);
+
+  MeofaD.refresh(Ud, eta);
+  MeofaMx.refresh(Ud, eta);
+
+  FermionFieldD diff_phi(FGridD);
+  diff_phi = MeofaD.getPhi() - MeofaMx.getPhi();
+
+  RealD n = norm2(diff_phi);
+  
+  std::cout << GridLogMessage << "Phi(double)=" << norm2(MeofaD.getPhi()) << " Phi(mixed)=" << norm2(MeofaMx.getPhi()) << " diff=" << n << std::endl;
+
+  assert(n < 1e-8);
+
+  RealD Sd = MeofaD.S(Ud);
+  RealD Smx = MeofaMx.S(Ud);
+
+  std::cout << GridLogMessage << "Initial action double=" << Sd << " mixed=" << Smx << " diff=" << Sd-Smx << std::endl;
+
+  assert(fabs(Sd-Smx) < 1e-6);
+
+  SU<Nc>::HotConfiguration(RNG4,Ud);
+  precisionChange(Uf, Ud);
+
+  Sd = MeofaD.S(Ud);
+  Smx = MeofaMx.S(Ud);
+
+  std::cout << GridLogMessage << "After randomizing U, action double=" << Sd << " mixed=" << Smx << " diff=" << Sd-Smx << std::endl;
+
+  assert(fabs(Sd-Smx) < 1e-6);
+
+  std::cout << GridLogMessage << "Done" << std::endl;
+  Grid_finalize();
+}

tests/hmc/Test_action_dwf_gparity2fvs1f.cc

@@ -0,0 +1,257 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: tests/hmc/Test_action_dwf_gparity2fvs1f.cc
+
+    Copyright (C) 2015
+
+    Author: Christopher Kelly <ckelly@bnl.gov>
+    Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+
+
+template<typename FermionField2f, typename FermionField1f>
+void copy2fTo1fFermionField(FermionField1f &out, const FermionField2f &in, int gpdir){
+  auto f0_halfgrid = PeekIndex<GparityFlavourIndex>(in,0); //on 2f Grid
+  FermionField1f f0_fullgrid_dbl(out.Grid());
+  Replicate(f0_halfgrid, f0_fullgrid_dbl); //double it up to live on the 1f Grid
+
+  auto f1_halfgrid = PeekIndex<GparityFlavourIndex>(in,1);
+  FermionField1f f1_fullgrid_dbl(out.Grid());
+  Replicate(f1_halfgrid, f1_fullgrid_dbl);
+  
+  const Coordinate &dim_2f = in.Grid()->GlobalDimensions();
+  const Coordinate &dim_1f = out.Grid()->GlobalDimensions();
+
+  //We have to be careful for 5d fields; the s-direction is placed before the x,y,z,t and so we need to shift gpdir by 1
+  std::cout << "gpdir " << gpdir << std::endl;
+
+  gpdir+=1;
+  std::cout << "gpdir for 5D fields " << gpdir << std::endl;
+
+  std::cout << "dim_2f " << dim_2f << std::endl;
+  std::cout << "dim_1f " << dim_1f << std::endl;
+  
+  assert(dim_1f[gpdir] == 2*dim_2f[gpdir]);
+
+  LatticeInteger xcoor_1f(out.Grid()); //5d lattice integer
+  LatticeCoordinate(xcoor_1f,gpdir);
+
+  int L = dim_2f[gpdir];
+
+  out = where(xcoor_1f < L, f0_fullgrid_dbl, f1_fullgrid_dbl);
+}
+
+//Both have the same field type
+void copy2fTo1fGaugeField(LatticeGaugeField &out, const LatticeGaugeField &in, int gpdir){
+  LatticeGaugeField U_dbl(out.Grid());
+  Replicate(in, U_dbl);
+  
+  LatticeGaugeField Uconj_dbl = conjugate( U_dbl );
+
+  const Coordinate &dim_2f = in.Grid()->GlobalDimensions();
+  
+  LatticeInteger xcoor_1f(out.Grid());
+  LatticeCoordinate(xcoor_1f,gpdir);
+
+  int L = dim_2f[gpdir];
+  
+  out = where(xcoor_1f < L, U_dbl, Uconj_dbl);
+}
+
+
+std::ostream & operator<<(std::ostream &os, const Coordinate &x){
+  os << "(";
+  for(int i=0;i<x.size();i++) os << x[i] <<  (i<x.size()-1 ? " " : "");
+  os << ")";
+  return os;
+}
+
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+  
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  int Ls = 16;
+
+  Coordinate latt_2f = GridDefaultLatt();
+  Coordinate simd_layout = GridDefaultSimd(Nd, vComplexD::Nsimd());
+  Coordinate mpi_layout = GridDefaultMpi();
+
+  int mu = 0; //Gparity direction
+
+  Coordinate latt_1f = latt_2f;
+  latt_1f[mu] *= 2;
+
+  GridCartesian         * UGrid_1f   = SpaceTimeGrid::makeFourDimGrid(latt_1f, simd_layout, mpi_layout);
+  GridRedBlackCartesian * UrbGrid_1f = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_1f);
+  GridCartesian         * FGrid_1f   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_1f);
+  GridRedBlackCartesian * FrbGrid_1f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_1f);
+
+
+  GridCartesian         * UGrid_2f   = SpaceTimeGrid::makeFourDimGrid(latt_2f, simd_layout, mpi_layout);
+  GridRedBlackCartesian * UrbGrid_2f = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_2f);
+  GridCartesian         * FGrid_2f   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid_2f);
+  GridRedBlackCartesian * FrbGrid_2f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid_2f);
+
+
+  std::cout << "SIMD layout " << simd_layout << std::endl;
+  std::cout << "MPI layout " << mpi_layout << std::endl;
+  std::cout << "2f dimensions " << latt_2f << std::endl;
+  std::cout << "1f dimensions " << latt_1f << std::endl;
+
+  std::vector<int> seeds4({1,2,3,4});
+  std::vector<int> seeds5({5,6,7,8});
+  GridParallelRNG          RNG5_2f(FGrid_2f);  RNG5_2f.SeedFixedIntegers(seeds5);
+  GridParallelRNG          RNG4_2f(UGrid_2f);  RNG4_2f.SeedFixedIntegers(seeds4);
+
+  std::cout << "Generating hot 2f gauge configuration" << std::endl;
+  LatticeGaugeField Umu_2f(UGrid_2f);
+  SU<Nc>::HotConfiguration(RNG4_2f,Umu_2f);
+
+  std::cout << "Copying 2f->1f gauge field" << std::endl;
+  LatticeGaugeField Umu_1f(UGrid_1f);
+  copy2fTo1fGaugeField(Umu_1f, Umu_2f, mu);  
+
+  typedef GparityWilsonImplR FermionImplPolicy2f;
+  typedef GparityDomainWallFermionR FermionAction2f;
+  typedef typename FermionAction2f::FermionField FermionField2f;
+  
+  typedef WilsonImplR FermionImplPolicy1f;
+  typedef DomainWallFermionR FermionAction1f;
+  typedef typename FermionAction1f::FermionField FermionField1f;
+
+  std::cout << "Generating eta 2f" << std::endl;
+  FermionField2f eta_2f(FGrid_2f);
+  gaussian(RNG5_2f, eta_2f);
+
+  RealD scale = std::sqrt(0.5);
+  eta_2f=eta_2f*scale;
+
+  std::cout << "Copying 2f->1f eta" << std::endl;
+  FermionField1f eta_1f(FGrid_1f);
+  copy2fTo1fFermionField(eta_1f, eta_2f, mu);
+  
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.032;
+  Real pv_mass      = 1.0;
+  RealD M5  = 1.8;
+
+  //Setup the Dirac operators
+  std::cout << "Initializing Dirac operators" << std::endl;
+  
+  FermionAction2f::ImplParams Params_2f;
+  Params_2f.twists[mu] = 1;
+  Params_2f.twists[Nd-1] = 1; //APBC in time direction
+
+  //note 'Num' and 'Den' here refer to the determinant ratio, not the operator ratio in the pseudofermion action where the two are inverted
+  //to my mind the Pauli Villars and 'denominator' are synonymous but the Grid convention has this as the 'Numerator' operator in the RHMC implementation
+  FermionAction2f NumOp_2f(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f, *UrbGrid_2f, light_mass,M5,Params_2f); 
+  FermionAction2f DenOp_2f(Umu_2f,*FGrid_2f,*FrbGrid_2f,*UGrid_2f, *UrbGrid_2f, pv_mass, M5,Params_2f);
+
+  FermionAction1f::ImplParams Params_1f;
+  Params_1f.boundary_phases[mu] = -1; //antiperiodic in doubled lattice in GP direction
+  Params_1f.boundary_phases[Nd-1] = -1;
+  
+  FermionAction1f NumOp_1f(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f, *UrbGrid_1f, light_mass,M5,Params_1f);
+  FermionAction1f DenOp_1f(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f, *UrbGrid_1f, pv_mass, M5,Params_1f);
+
+  //Test the replication routines by running a CG on eta
+  double StoppingCondition = 1e-10;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField2f>  CG_2f(StoppingCondition,MaxCGIterations);
+  ConjugateGradient<FermionField1f>  CG_1f(StoppingCondition,MaxCGIterations);
+
+  NumOp_1f.ImportGauge(Umu_1f);
+  NumOp_2f.ImportGauge(Umu_2f);
+
+  FermionField1f test_1f(FGrid_1f);
+  FermionField2f test_2f(FGrid_2f);
+  
+  MdagMLinearOperator<FermionAction1f, FermionField1f> Linop_1f(NumOp_1f);
+  MdagMLinearOperator<FermionAction2f, FermionField2f> Linop_2f(NumOp_2f);
+  
+  CG_1f(Linop_1f, eta_1f, test_1f);
+  CG_2f(Linop_2f, eta_2f, test_2f);
+  RealD test_1f_norm = norm2(test_1f);
+  RealD test_2f_norm = norm2(test_2f);
+
+  std::cout << "Verification of replication routines: " << test_1f_norm << " " << test_2f_norm << " " << test_1f_norm - test_2f_norm << std::endl;
+
+
+#if 1
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy2f> Action2f;
+  typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy1f> Action1f;
+
+  RationalActionParams rational_params;
+  rational_params.inv_pow = 2;
+  rational_params.lo = 1e-5;
+  rational_params.hi = 32;
+  rational_params.md_degree = 16;
+  rational_params.action_degree = 16;
+
+  Action2f action_2f(DenOp_2f, NumOp_2f, rational_params);
+  Action1f action_1f(DenOp_1f, NumOp_1f, rational_params);
+#else
+  typedef TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy2f> Action2f;
+  typedef TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy1f> Action1f;
+
+  Action2f action_2f(DenOp_2f, NumOp_2f, CG_2f, CG_2f);
+  Action1f action_1f(DenOp_1f, NumOp_1f, CG_1f, CG_1f);
+#endif
+
+
+  std::cout << "Action refresh" << std::endl;
+  action_2f.refresh(Umu_2f, eta_2f);
+  action_1f.refresh(Umu_1f, eta_1f);
+
+  std::cout << "Action compute post heatbath" << std::endl;
+  RealD S_2f = action_2f.S(Umu_2f);
+  RealD S_1f = action_1f.S(Umu_1f);
+
+  std::cout << "Action comparison post heatbath" << std::endl;
+  std::cout << S_2f << " " << S_1f << " " << S_2f-S_1f << std::endl;
+
+  //Change the gauge field between refresh and action eval else the matrix and inverse matrices all cancel and we just get |eta|^2
+  SU<Nc>::HotConfiguration(RNG4_2f,Umu_2f);
+  copy2fTo1fGaugeField(Umu_1f, Umu_2f, mu);  
+
+  //Now compute the action with the new gauge field
+  std::cout << "Action compute post gauge field update" << std::endl;
+  S_2f = action_2f.S(Umu_2f);
+  S_1f = action_1f.S(Umu_1f);
+
+  std::cout << "Action comparison post gauge field update" << std::endl;
+  std::cout << S_2f << " " << S_1f << " " << S_2f-S_1f << std::endl;
+
+  Grid_finalize();
+} // main
+
+

tests/hmc/Test_hmc_GparityIwasakiGauge.cc

@@ -58,7 +58,7 @@ int main(int argc, char **argv) {
   CheckpointerParameters CPparams;  
   CPparams.config_prefix = "ckpoint_EODWF_lat";
   CPparams.rng_prefix = "ckpoint_EODWF_rng";
-  CPparams.saveInterval = 5;
+  CPparams.saveInterval = 1;
   CPparams.format = "IEEE64BIG";
   
   TheHMC.Resources.LoadNerscCheckpointer(CPparams);
@@ -79,7 +79,7 @@ int main(int argc, char **argv) {
   // that have a complex construction
   // standard
   RealD beta = 2.6 ;
-  const int nu = 3;
+  const int nu = 1;
   std::vector<int> twists(Nd,0);
   twists[nu] = 1;
   ConjugateGimplD::setDirections(twists);

tests/hmc/Test_rhmc_EOWilsonRatioPowQuarter.cc

@@ -0,0 +1,139 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_rhmc_EOWilsonRatio.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+//This test is for the Wilson action with the determinant det( M^dag M)^1/4
+//testing the generic RHMC 
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+   ;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  // here make a routine to print all the relevant information on the run
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+   // Typedefs to simplify notation
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
+  typedef WilsonImplR FermionImplPolicy;
+  typedef WilsonFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  HMCWrapper TheHMC;
+
+  // Grid from the command line
+  TheHMC.Resources.AddFourDimGrid("gauge");
+
+  // Checkpointer definition
+  CheckpointerParameters CPparams;  
+  CPparams.config_prefix = "ckpoint_lat";
+  CPparams.rng_prefix = "ckpoint_rng";
+  CPparams.saveInterval = 5;
+  CPparams.format = "IEEE64BIG";
+  
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  /////////////////////////////////////////////////////////////
+  // Collect actions, here use more encapsulation
+  // need wrappers of the fermionic classes 
+  // that have a complex construction
+  // standard
+  RealD beta = 5.6 ;
+  WilsonGaugeActionR Waction(beta);
+    
+  auto GridPtr = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  Real mass = -0.77;
+  Real pv   = 0.0;
+
+  // Can we define an overloaded operator that does not need U and initialises
+  // it with zeroes?
+  FermionAction DenOp(U, *GridPtr, *GridRBPtr, mass);
+  FermionAction NumOp(U, *GridPtr, *GridRBPtr, pv);
+
+
+  // 1/2+1/2 flavour
+  // RationalActionParams(int _inv_pow = 2,
+  // 		       RealD _lo      = 0.0, 
+  // 		       RealD _hi      = 1.0, 
+  // 		       int _maxit     = 1000,
+  // 		       RealD tol      = 1.0e-8, 
+  // 		       int _degree    = 10,
+  // 		       int _precision = 64,
+  // 		       int _BoundsCheckFreq=20)
+
+
+  int inv_pow = 4;
+  RationalActionParams Params(inv_pow,1.0e-2,64.0,1000,1.0e-6,14,64,1);
+
+  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> RHMC(NumOp,DenOp,Params);
+
+    // Collect actions
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  Level1.push_back(&RHMC);
+
+  ActionLevel<HMCWrapper::Field> Level2(4);
+  Level2.push_back(&Waction);
+
+  TheHMC.TheAction.push_back(Level1);
+  TheHMC.TheAction.push_back(Level2);
+  /////////////////////////////////////////////////////////////
+
+  // HMC parameters are serialisable 
+  TheHMC.Parameters.MD.MDsteps = 20;
+  TheHMC.Parameters.MD.trajL   = 1.0;
+
+  TheHMC.ReadCommandLine(argc, argv); // these can be parameters from file
+  TheHMC.Run();
+
+  Grid_finalize();
+
+} // main
+
+
+
+
+

tests/hmc/Test_rhmc_EOWilsonRatio_doubleVsMixedPrec.cc

@@ -0,0 +1,119 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_rhmc_EOWilsonRatio_doubleVsMixedPrec.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+//This test ensures the mixed precision RHMC gives the same result as the regular double precision
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
+
+  typedef WilsonImplD FermionImplPolicyD;
+  typedef WilsonFermionD FermionActionD;
+  typedef typename FermionActionD::FermionField FermionFieldD;
+
+  typedef WilsonImplF FermionImplPolicyF;
+  typedef WilsonFermionF FermionActionF;
+  typedef typename FermionActionF::FermionField FermionFieldF;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  HMCWrapper TheHMC;
+  TheHMC.Resources.AddFourDimGrid("gauge");
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  auto GridPtrD = TheHMC.Resources.GetCartesian();
+  auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
+
+  GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
+
+  // temporarily need a gauge field
+  LatticeGaugeFieldD Ud(GridPtrD);
+  LatticeGaugeFieldF Uf(GridPtrF);
+
+  Real mass = -0.77;
+  Real pv   = 0.0;
+
+  FermionActionD DenOpD(Ud, *GridPtrD, *GridRBPtrD, mass);
+  FermionActionD NumOpD(Ud, *GridPtrD, *GridRBPtrD, pv);
+
+  FermionActionF DenOpF(Uf, *GridPtrF, *GridRBPtrF, mass);
+  FermionActionF NumOpF(Uf, *GridPtrF, *GridRBPtrF, pv);
+
+  TheHMC.Resources.AddRNGs();
+  PeriodicGimplR::HotConfiguration(TheHMC.Resources.GetParallelRNG(), Ud);
+
+  std::string seed_string = "the_seed";
+
+  //Setup the pseudofermion actions
+  RationalActionParams GenParams;
+  GenParams.inv_pow = 2;
+  GenParams.lo = 1e-2;
+  GenParams.hi = 64.0;
+  GenParams.MaxIter = 1000;
+  GenParams.action_tolerance = GenParams.md_tolerance = 1e-6;
+  GenParams.action_degree = GenParams.md_degree = 6;
+  GenParams.precision = 64;
+  GenParams.BoundsCheckFreq = 20;
+
+  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> GenD(NumOpD,DenOpD,GenParams);
+  GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD, FermionImplPolicyF> GenFD(NumOpD, DenOpD, 
+													NumOpF, DenOpF, 
+													GenParams, 50);
+  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
+  GenD.refresh(Ud, TheHMC.Resources.GetSerialRNG(), TheHMC.Resources.GetParallelRNG());    
+  RealD Sd = GenD.S(Ud);
+  LatticeGaugeField derivD(Ud);
+  GenD.deriv(Ud,derivD);   
+
+  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
+  GenFD.refresh(Ud, TheHMC.Resources.GetSerialRNG(), TheHMC.Resources.GetParallelRNG());    
+  RealD Sfd = GenFD.S(Ud);
+  LatticeGaugeField derivFD(Ud);
+  GenFD.deriv(Ud,derivFD);   
+
+  //Compare
+  std::cout << "Action : " << Sd << " " << Sfd << " reldiff " << (Sd - Sfd)/Sd << std::endl;
+  
+  LatticeGaugeField diff(Ud);
+  axpy(diff, -1.0, derivD, derivFD);
+  std::cout << "Norm of difference in deriv " << sqrt(norm2(diff)) << std::endl;
+
+  Grid_finalize();
+  return 0;
+}
+

tests/hmc/Test_rhmc_EOWilsonRatio_genericVsOneFlavor.cc

@@ -0,0 +1,122 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_rhmc_EOWilsonRatio_genericVsOneFlavor.cc
+
+    Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: paboyle <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 */
+#include <Grid/Grid.h>
+
+//This test ensures that the OneFlavourEvenOddRatioRationalPseudoFermionAction and GeneralEvenOddRatioRationalPseudoFermionAction action (with parameters set appropriately0
+//give the same results
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;  // Uses the default minimum norm
+  typedef WilsonImplR FermionImplPolicy;
+  typedef WilsonFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  HMCWrapper TheHMC;
+  TheHMC.Resources.AddFourDimGrid("gauge");
+
+
+  // // Checkpointer definition
+  // CheckpointerParameters CPparams;  
+  // CPparams.config_prefix = "ckpoint_lat";
+  // CPparams.rng_prefix = "ckpoint_rng";
+  // CPparams.saveInterval = 5;
+  // CPparams.format = "IEEE64BIG";
+  
+  // TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  auto GridPtr = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  Real mass = -0.77;
+  Real pv   = 0.0;
+
+  FermionAction DenOp(U, *GridPtr, *GridRBPtr, mass);
+  FermionAction NumOp(U, *GridPtr, *GridRBPtr, pv);
+
+  TheHMC.Resources.AddRNGs();
+  PeriodicGimplR::HotConfiguration(TheHMC.Resources.GetParallelRNG(), U);
+
+  std::string seed_string = "the_seed";
+
+  //1f action
+  OneFlavourRationalParams OneFParams(1.0e-2,64.0,1000,1.0e-6,6); 
+
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> OneF(NumOp,DenOp,OneFParams);
+  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
+  OneF.refresh(U, TheHMC.Resources.GetParallelRNG());    
+  RealD OneFS = OneF.S(U);
+  LatticeGaugeField OneFderiv(U);
+  OneF.deriv(U,OneFderiv);    
+  
+  //general action
+  RationalActionParams GenParams;
+  GenParams.inv_pow = 2;
+  GenParams.lo = OneFParams.lo;
+  GenParams.hi = OneFParams.hi;
+  GenParams.MaxIter = OneFParams.MaxIter;
+  GenParams.action_tolerance = GenParams.md_tolerance = OneFParams.tolerance;
+  GenParams.action_degree = GenParams.md_degree = OneFParams.degree;
+  GenParams.precision = OneFParams.precision;
+  GenParams.BoundsCheckFreq = OneFParams.BoundsCheckFreq;
+
+  GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> Gen(NumOp,DenOp,GenParams);
+  TheHMC.Resources.GetParallelRNG().SeedUniqueString(seed_string);
+  Gen.refresh(U, TheHMC.Resources.GetParallelRNG());    
+  RealD GenS = Gen.S(U);
+  LatticeGaugeField Genderiv(U);
+  Gen.deriv(U,Genderiv);   
+
+
+  //Compare
+  std::cout << "Action : " << OneFS << " " << GenS << " reldiff " << (OneFS - GenS)/OneFS << std::endl;
+  
+  LatticeGaugeField diff(U);
+  axpy(diff, -1.0, Genderiv, OneFderiv);
+  std::cout << "Norm of difference in deriv " << sqrt(norm2(diff)) << std::endl;
+
+  Grid_finalize();
+  return 0;
+}
+

tests/lanczos/Test_compressed_lanczos_gparity.cc

@@ -0,0 +1,425 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_compressed_lanczos_gparity.cc
+
+    Copyright (C) 2017
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Leans heavily on Christoph Lehner's code
+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 */
+/*
+ *  Reimplement the badly named "multigrid" lanczos as compressed Lanczos using the features 
+ *  in Grid that were intended to be used to support blocked Aggregates, from
+ */
+#include <Grid/Grid.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/LocalCoherenceLanczos.h>
+
+using namespace std;
+using namespace Grid;
+
+// template<class VectorInt>
+// void GridCmdOptionIntVector(const std::string &str, VectorInt & vec)
+// {
+//   vec.resize(0);
+//   std::stringstream ss(str);
+//   int i;
+//   while (ss >> i){
+//     vec.push_back(i);
+//     if(std::ispunct(ss.peek()))
+//       ss.ignore();
+//   }
+//   return;
+// }
+
+
+//For the CPS configurations we have to manually seed the RNG and deal with an incorrect factor of 2 in the plaquette metadata
+void readConfiguration(LatticeGaugeFieldD &U,
+		       const std::string &config,
+		       bool is_cps_cfg = false){
+
+  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = false;
+
+  typedef GaugeStatistics<ConjugateGimplD> GaugeStats;
+     
+  FieldMetaData header;
+  NerscIO::readConfiguration<GaugeStats>(U, header, config);
+
+  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = true;
+}
+
+//Lanczos parameters in CPS conventions
+struct CPSLanczosParams : Serializable {
+public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(CPSLanczosParams,
+				  RealD, alpha,
+				  RealD, beta,
+				  int, ch_ord,
+				  int, N_use,
+				  int, N_get,
+				  int, N_true_get,
+				  RealD, stop_rsd,
+				  int, maxits);
+
+  //Translations
+  ChebyParams getChebyParams() const{
+    ChebyParams out;
+    out.alpha = beta*beta; //aka lo
+    out.beta = alpha*alpha; //aka hi
+    out.Npoly = ch_ord+1;
+    return out;
+  }
+  int Nstop() const{ return N_true_get; }
+  int Nm() const{ return N_use; }
+  int Nk() const{ return N_get; }
+};
+
+//Maybe this class should be in the main library?
+template<class Fobj,class CComplex,int nbasis>
+class LocalCoherenceLanczosScidac : public LocalCoherenceLanczos<Fobj,CComplex,nbasis>
+{ 
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LocalCoherenceLanczosScidac(GridBase *FineGrid,GridBase *CoarseGrid,
+			      LinearOperatorBase<FineField> &FineOp,
+			      int checkerboard) 
+    // Base constructor
+    : LocalCoherenceLanczos<Fobj,CComplex,nbasis>(FineGrid,CoarseGrid,FineOp,checkerboard) 
+  {};
+
+  void checkpointFine(std::string evecs_file,std::string evals_file)
+  {
+    assert(this->subspace.size()==nbasis);
+    emptyUserRecord record;
+    Grid::ScidacWriter WR(this->_FineGrid->IsBoss());
+    WR.open(evecs_file);
+    for(int k=0;k<nbasis;k++) {
+      WR.writeScidacFieldRecord(this->subspace[k],record);
+    }
+    WR.close();
+    
+    XmlWriter WRx(evals_file);
+    write(WRx,"evals",this->evals_fine);
+  }
+
+  void checkpointFineRestore(std::string evecs_file,std::string evals_file)
+  {
+    this->evals_fine.resize(nbasis);
+    this->subspace.resize(nbasis,this->_FineGrid);
+    
+    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evals from "<<evals_file<<std::endl;
+    XmlReader RDx(evals_file);
+    read(RDx,"evals",this->evals_fine);
+    
+    assert(this->evals_fine.size()==nbasis);
+    
+    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evecs from "<<evecs_file<<std::endl;
+    emptyUserRecord record;
+    Grid::ScidacReader RD ;
+    RD.open(evecs_file);
+    for(int k=0;k<nbasis;k++) {
+      this->subspace[k].Checkerboard()=this->_checkerboard;
+      RD.readScidacFieldRecord(this->subspace[k],record);
+      
+    }
+    RD.close();
+  }
+
+  void checkpointCoarse(std::string evecs_file,std::string evals_file)
+  {
+    int n = this->evec_coarse.size();
+    emptyUserRecord record;
+    Grid::ScidacWriter WR(this->_CoarseGrid->IsBoss());
+    WR.open(evecs_file);
+    for(int k=0;k<n;k++) {
+      WR.writeScidacFieldRecord(this->evec_coarse[k],record);
+    }
+    WR.close();
+    
+    XmlWriter WRx(evals_file);
+    write(WRx,"evals",this->evals_coarse);
+  }
+
+  void checkpointCoarseRestore(std::string evecs_file,std::string evals_file,int nvec)
+  {
+    std::cout << "resizing coarse vecs to " << nvec<< std::endl;
+    this->evals_coarse.resize(nvec);
+    this->evec_coarse.resize(nvec,this->_CoarseGrid);
+    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evals from "<<evals_file<<std::endl;
+    XmlReader RDx(evals_file);
+    read(RDx,"evals",this->evals_coarse);
+
+    assert(this->evals_coarse.size()==nvec);
+    emptyUserRecord record;
+    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evecs from "<<evecs_file<<std::endl;
+    Grid::ScidacReader RD ;
+    RD.open(evecs_file);
+    for(int k=0;k<nvec;k++) {
+      RD.readScidacFieldRecord(this->evec_coarse[k],record);
+    }
+    RD.close();
+  }
+};
+
+
+//Note:  because we rely upon physical properties we must use a "real" gauge configuration
+int main (int argc, char ** argv) {
+  Grid_init(&argc,&argv);
+  GridLogIRL.TimingMode(1);
+
+  std::vector<int> blockSize = {2,2,2,2,2};
+  std::vector<int> GparityDirs = {1,1,1}; //1 for each GP direction
+
+  int Ls = 12;
+  RealD mass = 0.01;
+  RealD M5 = 1.8;
+  bool is_cps_cfg = false;
+
+  CPSLanczosParams fine, coarse;
+
+  fine.alpha = 2;
+  fine.beta = 0.1;
+  fine.ch_ord = 100;
+  fine.N_use = 70;
+  fine.N_get = 60;
+  fine.N_true_get = 60;
+  fine.stop_rsd = 1e-8;
+  fine.maxits = 10000;
+
+  coarse.alpha = 2;
+  coarse.beta = 0.1;
+  coarse.ch_ord = 100;
+  coarse.N_use = 200;
+  coarse.N_get = 190;
+  coarse.N_true_get = 190;
+  coarse.stop_rsd = 1e-8;
+  coarse.maxits = 10000;
+
+  double coarse_relax_tol = 1e5;
+  int smoother_ord = 20;
+  
+  if(argc < 3){
+    std::cout << GridLogMessage << "Usage: <exe> <config> <gparity dirs> <options>" << std::endl;
+    std::cout << GridLogMessage << "<gparity dirs> should have the format a.b.c where a,b,c are 0,1 depending on whether there are G-parity BCs in that direction" << std::endl;
+    std::cout << GridLogMessage << "Options:" << std::endl;
+    std::cout << GridLogMessage << "--Ls <value> : Set Ls (default 12)" << std::endl;
+    std::cout << GridLogMessage << "--mass <value> : Set the mass (default 0.01)" << std::endl;
+    std::cout << GridLogMessage << "--block <value> : Set the block size. Format should be a.b.c.d.e where a-e are the block extents  (default 2.2.2.2.2)" << std::endl;
+    std::cout << GridLogMessage << "--is_cps_cfg : Indicate that the configuration was generated with CPS where until recently the stored plaquette was wrong by a factor of 2" << std::endl;
+    std::cout << GridLogMessage << "--write_irl_templ: Write a template for the parameters file of the Lanczos to \"irl_templ.xml\"" << std::endl;
+    std::cout << GridLogMessage << "--read_irl_fine <filename>: Real the parameters file for the fine Lanczos" << std::endl;
+    std::cout << GridLogMessage << "--read_irl_coarse <filename>: Real the parameters file for the coarse Lanczos" << std::endl;
+    std::cout << GridLogMessage << "--write_fine <filename stub>: Write fine evecs/evals to filename starting with the stub" << std::endl;
+    std::cout << GridLogMessage << "--read_fine <filename stub>: Read fine evecs/evals from filename starting with the stub" << std::endl;
+    std::cout << GridLogMessage << "--write_coarse <filename stub>: Write coarse evecs/evals to filename starting with the stub" << std::endl;
+    std::cout << GridLogMessage << "--read_coarse <filename stub>: Read coarse evecs/evals from filename starting with the stub" << std::endl;
+    std::cout << GridLogMessage << "--smoother_ord :  Set the Chebyshev order of the smoother (default 20)" << std::endl;
+    std::cout << GridLogMessage << "--coarse_relax_tol : Set the relaxation parameter for evaluating the residual of the reconstructed eigenvectors outside of the basis (default 1e5)" << std::endl;
+    Grid_finalize();
+    return 1;
+  }
+  std::string config = argv[1];
+  GridCmdOptionIntVector(argv[2], GparityDirs);
+  assert(GparityDirs.size() == 3);
+
+  bool write_fine = false;
+  std::string write_fine_file;
+
+  bool read_fine = false;
+  std::string read_fine_file;
+
+  bool write_coarse = false;
+  std::string write_coarse_file;
+
+  bool read_coarse = false;
+  std::string read_coarse_file;
+ 
+  for(int i=3;i<argc;i++){
+    std::string sarg = argv[i];
+    if(sarg == "--Ls"){
+      Ls = std::stoi(argv[i+1]);
+      std::cout << GridLogMessage << "Set Ls to " << Ls << std::endl;
+    }else if(sarg == "--mass"){
+      std::istringstream ss(argv[i+1]); ss >> mass;
+      std::cout << GridLogMessage << "Set quark mass to " << mass << std::endl;
+    }else if(sarg == "--block"){
+      GridCmdOptionIntVector(argv[i+1], blockSize);
+      assert(blockSize.size() == 5);
+      std::cout << GridLogMessage << "Set block size to ";
+      for(int q=0;q<5;q++) std::cout << blockSize[q] << " ";
+      std::cout << std::endl;      
+    }else if(sarg == "--is_cps_cfg"){
+      is_cps_cfg = true;
+    }else if(sarg == "--write_irl_templ"){
+      XmlWriter writer("irl_templ.xml");
+      write(writer,"Params",fine);
+      Grid_finalize();
+      return 0;
+    }else if(sarg == "--read_irl_fine"){
+      std::cout << GridLogMessage << "Reading fine IRL params from " << argv[i+1] << std::endl;
+      XmlReader reader(argv[i+1]);
+      read(reader, "Params", fine);
+    }else if(sarg == "--read_irl_coarse"){
+      std::cout << GridLogMessage << "Reading coarse IRL params from " << argv[i+1] << std::endl;
+      XmlReader reader(argv[i+1]);
+      read(reader, "Params", coarse);
+    }else if(sarg == "--write_fine"){
+      write_fine = true;
+      write_fine_file = argv[i+1];
+    }else if(sarg == "--read_fine"){
+      read_fine = true;
+      read_fine_file = argv[i+1];
+    }else if(sarg == "--write_coarse"){
+      write_coarse = true;
+      write_coarse_file = argv[i+1];
+    }else if(sarg == "--read_coarse"){
+      read_coarse = true;
+      read_coarse_file = argv[i+1];
+    }else if(sarg == "--smoother_ord"){
+      std::istringstream ss(argv[i+1]); ss >> smoother_ord;
+      std::cout << GridLogMessage << "Set smoother order to " << smoother_ord << std::endl;
+    }else if(sarg == "--coarse_relax_tol"){
+      std::istringstream ss(argv[i+1]); ss >> coarse_relax_tol;
+      std::cout << GridLogMessage << "Set coarse IRL relaxation parameter to " << coarse_relax_tol << std::endl;
+    }      
+  }
+  
+  //Fine grids
+  GridCartesian         * UGrid     = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(),  GridDefaultSimd(Nd,vComplex::Nsimd()),   GridDefaultMpi());
+  GridRedBlackCartesian * UrbGrid   = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         * FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  //Setup G-parity BCs
+  assert(Nd == 4);
+  std::vector<int> dirs4(4);
+  for(int i=0;i<3;i++) dirs4[i] = GparityDirs[i];
+  dirs4[3] = 0; //periodic gauge BC in time
+  
+  std::cout << GridLogMessage << "Gauge BCs: " << dirs4 << std::endl;
+  ConjugateGimplD::setDirections(dirs4); //gauge BC
+
+  GparityWilsonImplD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+  std::cout << GridLogMessage << "Fermion BCs: " << Params.twists << std::endl;
+  
+  //Read the gauge field
+  LatticeGaugeField Umu(UGrid);  
+  readConfiguration(Umu, config, is_cps_cfg);
+
+  //Setup the coarse grids  
+  auto fineLatt     = GridDefaultLatt();
+  Coordinate coarseLatt(4);
+  for (int d=0;d<4;d++){
+    coarseLatt[d] = fineLatt[d]/blockSize[d];    assert(coarseLatt[d]*blockSize[d]==fineLatt[d]);
+  }
+
+  std::cout << GridLogMessage<< " 5d coarse lattice is ";
+  for (int i=0;i<4;i++){
+    std::cout << coarseLatt[i]<<"x";
+  } 
+  int cLs = Ls/blockSize[4]; assert(cLs*blockSize[4]==Ls);
+  std::cout << cLs<<std::endl;
+  
+  GridCartesian         * CoarseGrid4    = SpaceTimeGrid::makeFourDimGrid(coarseLatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridRedBlackCartesian * CoarseGrid4rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid4);
+  GridCartesian         * CoarseGrid5    = SpaceTimeGrid::makeFiveDimGrid(cLs,CoarseGrid4);
+
+  //Dirac operator
+  GparityDomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mass, M5, Params);
+  typedef GparityDomainWallFermionD::FermionField FermionField;
+  
+  SchurDiagTwoOperator<GparityDomainWallFermionD,FermionField> SchurOp(action);
+
+  typedef GparityWilsonImplD::SiteSpinor SiteSpinor;
+
+  std::cout << GridLogMessage << "Keep " << fine.N_true_get   << " fine   vectors" << std::endl;
+  std::cout << GridLogMessage << "Keep " << coarse.N_true_get << " coarse vectors" << std::endl;
+  assert(coarse.N_true_get >= fine.N_true_get);
+
+  const int nbasis= 60;
+  assert(nbasis<=fine.N_true_get);
+  LocalCoherenceLanczosScidac<SiteSpinor,vTComplex,nbasis> _LocalCoherenceLanczos(FrbGrid,CoarseGrid5,SchurOp,Odd);
+  std::cout << GridLogMessage << "Constructed LocalCoherenceLanczos" << std::endl;
+
+  //Compute and/or read fine evecs
+  if(read_fine){
+    _LocalCoherenceLanczos.checkpointFineRestore(read_fine_file + "_evecs.scidac", read_fine_file + "_evals.xml");
+  }else{
+    std::cout << GridLogMessage << "Performing fine grid IRL" << std::endl;
+    std::cout << GridLogMessage << "Using Chebyshev alpha=" << fine.alpha << " beta=" << fine.beta << " ord=" << fine.ch_ord << std::endl;
+    _LocalCoherenceLanczos.calcFine(fine.getChebyParams(),
+				    fine.Nstop(),fine.Nk(),fine.Nm(),
+				    fine.stop_rsd,fine.maxits,0,0);
+    if(write_fine){
+      std::cout << GridLogIRL<<"Checkpointing Fine evecs"<<std::endl;
+      _LocalCoherenceLanczos.checkpointFine(write_fine_file + "_evecs.scidac", write_fine_file + "_evals.xml");
+    }
+  }
+  
+  //Block orthonormalise (this should be part of calcFine?)
+  std::cout << GridLogIRL<<"Orthogonalising"<<std::endl;
+  _LocalCoherenceLanczos.Orthogonalise();
+  std::cout << GridLogIRL<<"Orthogonaled"<<std::endl;
+
+  ChebyParams smoother = fine.getChebyParams();
+  smoother.Npoly = smoother_ord+1;
+
+  if(read_coarse){
+    _LocalCoherenceLanczos.checkpointCoarseRestore(read_coarse_file + "_evecs.scidac", read_coarse_file + "_evals.xml",coarse.Nstop());
+
+  }else{
+    std::cout << GridLogMessage << "Performing coarse grid IRL" << std::endl;
+    std::cout << GridLogMessage << "Using Chebyshev alpha=" << coarse.alpha << " beta=" << coarse.beta << " ord=" << coarse.ch_ord << std::endl;	
+    _LocalCoherenceLanczos.calcCoarse(coarse.getChebyParams(), smoother, coarse_relax_tol,
+				      coarse.Nstop(), coarse.Nk() ,coarse.Nm(),
+				      coarse.stop_rsd, coarse.maxits, 
+				      0,0);
+
+    if(write_coarse){
+      std::cout << GridLogIRL<<"Checkpointing Coarse evecs"<<std::endl;
+      _LocalCoherenceLanczos.checkpointCoarse(write_coarse_file + "_evecs.scidac", write_coarse_file + "_evals.xml");
+    }
+
+  }
+
+  //Test the eigenvectors
+  FermionField evec(FrbGrid);
+  FermionField tmp(FrbGrid);
+  RealD eval;
+  
+  for(int i=0;i<coarse.N_true_get;i++){    
+    _LocalCoherenceLanczos.getFineEvecEval(evec, eval, i);
+    SchurOp.HermOp(evec, tmp);
+    tmp = tmp - eval*evec;
+    std::cout << GridLogMessage << "Eval " << eval << " resid " << sqrt(norm2(tmp)) << std::endl;
+  }
+
+  Grid_finalize();
+}
+

tests/lanczos/Test_dwf_lanczos.cc

@@ -31,14 +31,38 @@ using namespace std;
 using namespace Grid;
  ;
 
-typedef typename GparityDomainWallFermionR::FermionField FermionField;
+template<typename Action>
+struct Setup{};
 
-RealD AllZero(RealD x){ return 0.;}
+template<>
+struct Setup<GparityMobiusFermionR>{
+  static GparityMobiusFermionR* getAction(LatticeGaugeField &Umu,
+					  GridCartesian* FGrid, GridRedBlackCartesian* FrbGrid, GridCartesian* UGrid, GridRedBlackCartesian* UrbGrid){
+    RealD mass=0.01;
+    RealD M5=1.8;
+    RealD mob_b=1.5;
+    GparityMobiusFermionD ::ImplParams params;
+    std::vector<int> twists({1,1,1,0});
+    params.twists = twists;
+    return new GparityMobiusFermionR(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,mob_b,mob_b-1.,params);
+  }
+};
 
-int main (int argc, char ** argv)
+template<>
-{
+struct Setup<DomainWallFermionR>{
-  Grid_init(&argc,&argv);
+  static DomainWallFermionR* getAction(LatticeGaugeField &Umu,
+					  GridCartesian* FGrid, GridRedBlackCartesian* FrbGrid, GridCartesian* UGrid, GridRedBlackCartesian* UrbGrid){
+    RealD mass=0.01;
+    RealD M5=1.8;
+    return new DomainWallFermionR(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  }
+};
 
+
+
+template<typename Action>
+void run(){
+  typedef typename Action::FermionField FermionField;
   const int Ls=8;
 
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
@@ -56,24 +80,10 @@ int main (int argc, char ** argv)
   LatticeGaugeField Umu(UGrid); 
   SU<Nc>::HotConfiguration(RNG4, Umu);
 
-  std::vector<LatticeColourMatrix> U(4,UGrid);
+  Action *action = Setup<Action>::getAction(Umu,FGrid,FrbGrid,UGrid,UrbGrid);
-  for(int mu=0;mu<Nd;mu++){
-    U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
-  }
  
-  RealD mass=0.01;
+  //MdagMLinearOperator<Action,FermionField> HermOp(Ddwf);
-  RealD M5=1.8;
+  SchurDiagTwoOperator<Action,FermionField> HermOp(*action);
-  RealD mob_b=1.5;
-//  DomainWallFermionR Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
-  GparityMobiusFermionD ::ImplParams params;
-  std::vector<int> twists({1,1,1,0});
-  params.twists = twists;
-  GparityMobiusFermionR  Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,mob_b,mob_b-1.,params);
-
-//  MdagMLinearOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
-//  SchurDiagTwoOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
-  SchurDiagTwoOperator<GparityMobiusFermionR,FermionField> HermOp(Ddwf);
-//  SchurDiagMooeeOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
 
   const int Nstop = 30;
   const int Nk = 40;
@@ -91,7 +101,6 @@ int main (int argc, char ** argv)
 
   ImplicitlyRestartedLanczos<FermionField> IRL(OpCheby,Op,Nstop,Nk,Nm,resid,MaxIt);
  
-  
   std::vector<RealD>          eval(Nm);
   FermionField    src(FrbGrid); 
   gaussian(RNG5rb,src);
@@ -103,6 +112,28 @@ int main (int argc, char ** argv)
   int Nconv;
   IRL.calc(eval,evec,src,Nconv);
 
+  delete action;
+}
+  
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc,&argv);
+
+  std::string action = "GparityMobius";
+  for(int i=1;i<argc;i++){
+    if(std::string(argv[i]) == "-action"){
+      action = argv[i+1];
+    }
+  }
+
+  if(action == "GparityMobius"){
+    run<GparityMobiusFermionR>();
+  }else if(action == "DWF"){
+    run<DomainWallFermionR>();
+  }else{
+    std::cout << "Unknown action" << std::endl;
+    exit(1);
+  }
   
   Grid_finalize();
 }

tests/lanczos/Test_evec_compression.cc

@@ -0,0 +1,576 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_evec_compression.cc
+
+    Copyright (C) 2017
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+/*
+ *
+ * This test generates eigenvectors using the Lanczos algorithm then attempts to use local coherence compression
+ * to express those vectors in terms of a basis formed from a subset. This test is useful for finding the optimal
+ * blocking and basis size for performing a Local Coherence Lanczos
+ */
+#include <Grid/Grid.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/LocalCoherenceLanczos.h>
+
+using namespace std;
+using namespace Grid;
+
+//For the CPS configurations we have to manually seed the RNG and deal with an incorrect factor of 2 in the plaquette metadata
+template<typename Gimpl>
+void readConfiguration(LatticeGaugeFieldD &U,
+		       const std::string &config,
+		       bool is_cps_cfg = false){
+
+  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = false;
+
+  typedef GaugeStatistics<Gimpl> GaugeStats;
+     
+  FieldMetaData header;
+  NerscIO::readConfiguration<GaugeStats>(U, header, config);
+
+  if(is_cps_cfg) NerscIO::exitOnReadPlaquetteMismatch() = true;
+}
+
+//Lanczos parameters in CPS conventions
+struct CPSLanczosParams : Serializable {
+public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(CPSLanczosParams,
+				  RealD, alpha,
+				  RealD, beta,
+				  int, ch_ord,
+				  int, N_use,
+				  int, N_get,
+				  int, N_true_get,
+				  RealD, stop_rsd,
+				  int, maxits);
+
+  //Translations
+  ChebyParams getChebyParams() const{
+    ChebyParams out;
+    out.alpha = beta*beta; //aka lo
+    out.beta = alpha*alpha; //aka hi
+    out.Npoly = ch_ord+1;
+    return out;
+  }
+  int Nstop() const{ return N_true_get; }
+  int Nm() const{ return N_use; }
+  int Nk() const{ return N_get; }
+};
+
+
+template<class Fobj,class CComplex,int nbasis>
+class LocalCoherenceCompressor{
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CComplex>                   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<Fobj>                       FineField;
+  
+  void compress(std::vector<FineField> &basis,
+		std::vector<CoarseField> &compressed_evecs,
+		const std::vector<FineField> &evecs_in,
+		GridBase *FineGrid,
+		GridBase *CoarseGrid){
+    int nevecs = evecs_in.size();
+    assert(nevecs > nbasis);
+    
+    //Construct the basis
+    basis.resize(nbasis, FineGrid);
+    for(int b=0;b<nbasis;b++) basis[b] = evecs_in[b];
+
+    //Block othornormalize basis
+    CoarseScalar InnerProd(CoarseGrid);
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
+    blockOrthogonalise(InnerProd,basis);
+    std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+    blockOrthogonalise(InnerProd,basis);
+
+    //The coarse grid representation is the field of vectors of block inner products
+    std::cout << GridLogMessage << "Compressing eigevectors" << std::endl;
+    compressed_evecs.resize(nevecs, CoarseGrid);
+    for(int i=0;i<nevecs;i++) blockProject(compressed_evecs[i], evecs_in[i], basis);
+    std::cout << GridLogMessage << "Compression complete" << std::endl;
+  }
+
+  void uncompress(FineField &evec, const int i, const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs) const{
+    blockPromote(compressed_evecs[i],evec,basis);  
+  }
+
+  //Test uncompressed eigenvectors of Linop.HermOp to precision 'base_tolerance' for i<nbasis and 'base_tolerance*relax' for i>=nbasis
+  //Because the uncompressed evec has a lot of high mode noise (unimportant for deflation) we apply a smoother before testing.
+  //The Chebyshev used by the Lanczos should be sufficient as a smoother
+  bool testCompression(LinearOperatorBase<FineField> &Linop, OperatorFunction<FineField>   &smoother,
+		       const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs, const std::vector<RealD> &evals,
+		       const RealD base_tolerance, const RealD relax){
+    std::cout << GridLogMessage << "Testing quality of uncompressed evecs (after smoothing)" << std::endl;
+   
+    GridBase* FineGrid = basis[0].Grid();
+    GridBase* CoarseGrid = compressed_evecs[0].Grid();
+
+    bool fail = false;
+    FineField evec(FineGrid), Mevec(FineGrid), evec_sm(FineGrid);
+    for(int i=0;i<compressed_evecs.size();i++){
+      std::cout << GridLogMessage << "Uncompressing evec " << i << std::endl;
+      uncompress(evec, i, basis, compressed_evecs);
+
+      std::cout << GridLogMessage << "Smoothing evec " << i << std::endl;
+      smoother(Linop, evec, evec_sm);
+      
+      std::cout << GridLogMessage << "Computing residual for evec " << i << std::endl;
+      std::cout << GridLogMessage << "Linop" << std::endl;
+      Linop.HermOp(evec_sm, Mevec);
+      std::cout << GridLogMessage << "Linalg" << std::endl;
+      Mevec = Mevec - evals[i]*evec_sm;
+
+      std::cout << GridLogMessage << "Resid" << std::endl;
+      RealD tol = base_tolerance * (i<nbasis ? 1. : relax);
+      RealD res = sqrt(norm2(Mevec));
+      std::cout << GridLogMessage << "Evec idx " << i << " res " << res << " tol " << tol << std::endl;
+      if(res > tol) fail = true;
+    }
+    return fail;
+  }
+
+  //Compare uncompressed evecs to original evecs
+  void compareEvecs(const std::vector<FineField> &basis, const std::vector<CoarseField> &compressed_evecs, const std::vector<FineField> &orig_evecs){
+    std::cout << GridLogMessage << "Comparing uncompressed evecs to original evecs" << std::endl;
+    
+    GridBase* FineGrid = basis[0].Grid();
+    GridBase* CoarseGrid = compressed_evecs[0].Grid();
+
+    FineField evec(FineGrid), diff(FineGrid);
+    for(int i=0;i<compressed_evecs.size();i++){
+      std::cout << GridLogMessage << "Uncompressing evec " << i << std::endl;
+      uncompress(evec, i, basis, compressed_evecs);
+      diff = orig_evecs[i] - evec;
+      RealD res = sqrt(norm2(diff));
+      std::cout << GridLogMessage << "Evec idx " << i << " res " << res << std::endl;
+    }
+  }
+  
+};
+
+template<class Fobj,class CComplex,int nbasis>
+void compareBlockPromoteTimings(const std::vector<Lattice<Fobj> > &basis, const std::vector<Lattice<iVector<CComplex,nbasis > > > &compressed_evecs){
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CComplex>                   CoarseScalar; 
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<Fobj>                       FineField;
+
+  GridStopWatch timer;
+  
+  GridBase* FineGrid = basis[0].Grid();
+  GridBase* CoarseGrid = compressed_evecs[0].Grid();
+
+  FineField v1(FineGrid), v2(FineGrid);
+
+  //Start with a cold start
+  for(int i=0;i<basis.size();i++){
+    autoView( b_ , basis[i], CpuWrite);
+  }
+  for(int i=0;i<compressed_evecs.size();i++){
+    autoView( b_ , compressed_evecs[i], CpuWrite);
+  }
+  {
+    autoView( b_, v1, CpuWrite );
+  }
+
+  timer.Start();
+  blockPromote(compressed_evecs[0],v1,basis);  
+  timer.Stop();
+  std::cout << GridLogMessage << "Time for cold blockPromote v1 " << timer.Elapsed() << std::endl;
+
+  //Test to ensure it is actually doing a cold start by repeating
+  for(int i=0;i<basis.size();i++){
+    autoView( b_ , basis[i], CpuWrite);
+  }
+  for(int i=0;i<compressed_evecs.size();i++){
+    autoView( b_ , compressed_evecs[i], CpuWrite);
+  }
+  {
+    autoView( b_, v1, CpuWrite );
+  }
+
+  timer.Reset();
+  timer.Start();
+  blockPromote(compressed_evecs[0],v1,basis);  
+  timer.Stop();
+  std::cout << GridLogMessage << "Time for cold blockPromote v1 repeat (should be the same as above) " << timer.Elapsed() << std::endl;
+}
+
+struct Args{
+  int Ls;
+  RealD mass;
+  RealD M5;
+  bool is_cps_cfg;
+  RealD mobius_scale; //b+c
+  
+  CPSLanczosParams fine;
+  double coarse_relax_tol;
+
+  std::vector<int> blockSize;
+  std::vector<int> GparityDirs;
+
+  bool write_fine;
+  std::string write_fine_file;
+  bool read_fine;
+  std::string read_fine_file;
+
+  int basis_size;
+  
+  Args(){
+    blockSize = {2,2,2,2,2};
+    GparityDirs = {1,1,1}; //1 for each GP direction
+    
+    Ls = 12;
+    mass = 0.01;
+    M5 = 1.8;
+    is_cps_cfg = false;
+    mobius_scale = 2;
+    
+    fine.alpha = 2;
+    fine.beta = 0.1;
+    fine.ch_ord = 100;
+    fine.N_use = 70;
+    fine.N_get = 60;
+    fine.N_true_get = 60;
+    fine.stop_rsd = 1e-8;
+    fine.maxits = 10000;
+
+    coarse_relax_tol = 1e5;
+
+    write_fine = false;
+    read_fine = false;
+
+    basis_size = 100;
+  }
+};
+    
+
+GparityWilsonImplD::ImplParams setupGparityParams(const std::vector<int> &GparityDirs){
+  //Setup G-parity BCs
+  assert(Nd == 4);
+  std::vector<int> dirs4(4);
+  for(int i=0;i<3;i++) dirs4[i] = GparityDirs[i];
+  dirs4[3] = 0; //periodic gauge BC in time
+  
+  std::cout << GridLogMessage << "Gauge BCs: " << dirs4 << std::endl;
+  ConjugateGimplD::setDirections(dirs4); //gauge BC
+
+  GparityWilsonImplD::ImplParams Params;
+  for(int i=0;i<Nd-1;i++) Params.twists[i] = GparityDirs[i]; //G-parity directions
+  Params.twists[Nd-1] = 1; //APBC in time direction
+  std::cout << GridLogMessage << "Fermion BCs: " << Params.twists << std::endl;
+  return Params;
+}
+
+WilsonImplD::ImplParams setupParams(){
+  WilsonImplD::ImplParams Params;
+  Complex one(1.0);
+  Complex mone(-1.0);
+  for(int i=0;i<Nd-1;i++) Params.boundary_phases[i] = one;
+  Params.boundary_phases[Nd-1] = mone;
+  return Params;
+}
+
+template<int nbasis, typename ActionType>
+void run_b(ActionType &action, const std::string &config, const Args &args){
+  //Fine grids
+  GridCartesian         * UGrid     = (GridCartesian*)action.GaugeGrid();
+  GridRedBlackCartesian * UrbGrid   = (GridRedBlackCartesian*)action.GaugeRedBlackGrid();
+  GridCartesian         * FGrid     = (GridCartesian*)action.FermionGrid();
+  GridRedBlackCartesian * FrbGrid   = (GridRedBlackCartesian*)action.FermionRedBlackGrid();
+
+  //Setup the coarse grids  
+  auto fineLatt     = GridDefaultLatt();
+  Coordinate coarseLatt(4);
+  for (int d=0;d<4;d++){
+    coarseLatt[d] = fineLatt[d]/args.blockSize[d];    assert(coarseLatt[d]*args.blockSize[d]==fineLatt[d]);
+  }
+
+  std::cout << GridLogMessage<< " 5d coarse lattice is ";
+  for (int i=0;i<4;i++){
+    std::cout << coarseLatt[i]<<"x";
+  } 
+  int cLs = args.Ls/args.blockSize[4]; assert(cLs*args.blockSize[4]==args.Ls);
+  std::cout << cLs<<std::endl;
+  
+  GridCartesian         * CoarseGrid4    = SpaceTimeGrid::makeFourDimGrid(coarseLatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridRedBlackCartesian * CoarseGrid4rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid4);
+  GridCartesian         * CoarseGrid5    = SpaceTimeGrid::makeFiveDimGrid(cLs,CoarseGrid4);
+  typedef vTComplex CComplex; 
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CComplex>                   CoarseScalar;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+
+  typedef typename ActionType::FermionField FermionField; 
+  
+  SchurDiagTwoOperator<ActionType,FermionField> SchurOp(action);
+
+  typedef typename ActionType::SiteSpinor SiteSpinor;
+
+  const CPSLanczosParams &fine = args.fine;
+  
+  //Do the fine Lanczos
+  std::vector<RealD> evals;
+  std::vector<FermionField> evecs;
+
+  if(args.read_fine){
+    evals.resize(fine.N_true_get);
+    evecs.resize(fine.N_true_get, FrbGrid);
+
+    std::string evals_file = args.read_fine_file + "_evals.xml";
+    std::string evecs_file = args.read_fine_file + "_evecs.scidac";
+    
+    std::cout << GridLogIRL<< "Reading evals from "<<evals_file<<std::endl;
+    XmlReader RDx(evals_file);
+    read(RDx,"evals",evals);
+    
+    assert(evals.size()==fine.N_true_get);
+    
+    std::cout << GridLogIRL<< "Reading evecs from "<<evecs_file<<std::endl;
+    emptyUserRecord record;
+    Grid::ScidacReader RD ;
+    RD.open(evecs_file);
+    for(int k=0;k<fine.N_true_get;k++) {
+      evecs[k].Checkerboard()=Odd;
+      RD.readScidacFieldRecord(evecs[k],record);
+      
+    }
+    RD.close();
+  }else{ 
+    int Nstop = fine.Nstop(); //==N_true_get
+    int Nm = fine.Nm();
+    int Nk = fine.Nk();
+    RealD resid = fine.stop_rsd;
+    int MaxIt = fine.maxits;
+    
+    assert(nbasis<=Nm);    
+    Chebyshev<FermionField>      Cheby(fine.getChebyParams());
+    FunctionHermOp<FermionField> ChebyOp(Cheby,SchurOp);
+    PlainHermOp<FermionField>    Op(SchurOp);
+
+    evals.resize(Nm);
+    evecs.resize(Nm,FrbGrid);
+    
+    ImplicitlyRestartedLanczos<FermionField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,0,0);
+
+    FermionField src(FrbGrid); 
+    typedef typename FermionField::scalar_type Scalar;
+    src=Scalar(1.0); 
+    src.Checkerboard() = Odd;
+
+    int Nconv;
+    IRL.calc(evals, evecs,src,Nconv,false);
+    if(Nconv < Nstop) assert(0 && "Fine lanczos failed to converge the required number of evecs"); //algorithm doesn't consider this a failure
+    if(Nconv > Nstop){
+      //Yes this potentially throws away some evecs but it is better than having a random number of evecs between Nstop and Nm!
+      evals.resize(Nstop);
+      evecs.resize(Nstop, FrbGrid);
+    }
+    
+    if(args.write_fine){
+      std::string evals_file = args.write_fine_file + "_evals.xml";
+      std::string evecs_file = args.write_fine_file + "_evecs.scidac";
+
+      std::cout << GridLogIRL<< "Writing evecs to "<<evecs_file<<std::endl;
+
+      emptyUserRecord record;
+      Grid::ScidacWriter WR(FrbGrid->IsBoss());
+      WR.open(evecs_file);
+      for(int k=0;k<evecs.size();k++) {
+	WR.writeScidacFieldRecord(evecs[k],record);
+      }
+      WR.close();
+
+      std::cout << GridLogIRL<< "Writing evals to "<<evals_file<<std::endl;
+      
+      XmlWriter WRx(evals_file);
+      write(WRx,"evals",evals);
+    }    
+  }
+    
+  //Do the compression
+  LocalCoherenceCompressor<SiteSpinor,vTComplex,nbasis> compressor;
+  std::vector<FermionField> basis(nbasis,FrbGrid);
+  std::vector<CoarseField> compressed_evecs(evecs.size(),CoarseGrid5);
+  
+  compressor.compress(basis, compressed_evecs, evecs, FrbGrid, CoarseGrid5);
+
+  compareBlockPromoteTimings(basis, compressed_evecs);
+
+  //Compare uncompressed and original evecs
+  compressor.compareEvecs(basis, compressed_evecs, evecs);
+  
+  //Create the smoother
+  Chebyshev<FermionField> smoother(fine.getChebyParams());
+  
+  //Test the quality of the uncompressed evecs
+  assert( compressor.testCompression(SchurOp, smoother, basis, compressed_evecs, evals, fine.stop_rsd, args.coarse_relax_tol) );   
+}
+
+template<typename ActionType>
+void run(ActionType &action, const std::string &config, const Args &args){
+  switch(args.basis_size){
+  case 50:
+    return run_b<50>(action,config,args);
+  case 100:
+    return run_b<100>(action,config,args);
+  case 150:
+    return run_b<150>(action,config,args);
+  case 200:
+    return run_b<200>(action,config,args);
+  case 250:
+    return run_b<250>(action,config,args);
+  default:
+    assert(0 && "Unsupported basis size: allowed values are 50,100,200");
+  }
+}
+
+
+
+
+//Note:  because we rely upon physical properties we must use a "real" gauge configuration
+int main (int argc, char ** argv) {
+  Grid_init(&argc,&argv);
+  GridLogIRL.TimingMode(1);
+
+  if(argc < 3){
+    std::cout << GridLogMessage << "Usage: <exe> <config file> <gparity dirs> <options>" << std::endl;
+    std::cout << GridLogMessage << "<gparity dirs> should have the format a.b.c where a,b,c are 0,1 depending on whether there are G-parity BCs in that direction" << std::endl;
+    std::cout << GridLogMessage << "Options:" << std::endl;
+    std::cout << GridLogMessage << "--Ls <value> : Set Ls (default 12)" << std::endl;
+    std::cout << GridLogMessage << "--mass <value> : Set the mass (default 0.01)" << std::endl;
+    std::cout << GridLogMessage << "--block <value> : Set the block size. Format should be a.b.c.d.e where a-e are the block extents  (default 2.2.2.2.2)" << std::endl;
+    std::cout << GridLogMessage << "--is_cps_cfg : Indicate that the configuration was generated with CPS where until recently the stored plaquette was wrong by a factor of 2" << std::endl;
+    std::cout << GridLogMessage << "--write_irl_templ: Write a template for the parameters file of the Lanczos to \"irl_templ.xml\"" << std::endl;
+    std::cout << GridLogMessage << "--read_irl_fine <filename>: Real the parameters file for the fine Lanczos" << std::endl;
+    std::cout << GridLogMessage << "--write_fine <filename stub>: Write fine evecs/evals to filename starting with the stub" << std::endl;
+    std::cout << GridLogMessage << "--read_fine <filename stub>: Read fine evecs/evals from filename starting with the stub" << std::endl;    
+    std::cout << GridLogMessage << "--coarse_relax_tol : Set the relaxation parameter for evaluating the residual of the reconstructed eigenvectors outside of the basis (default 1e5)" << std::endl;
+    std::cout << GridLogMessage << "--action : Set the action from 'DWF', 'Mobius'  (default Mobius)" << std::endl;
+    std::cout << GridLogMessage << "--mobius_scale : Set the Mobius scale b+c (default 2)" << std::endl;
+    std::cout << GridLogMessage << "--basis_size : Set the basis size from 50,100,150,200,250 (default 100)" << std::endl;
+
+    Grid_finalize();
+    return 1;
+  }
+  std::string config = argv[1];
+
+  Args args;
+  GridCmdOptionIntVector(argv[2], args.GparityDirs);
+  assert(args.GparityDirs.size() == 3);
+
+  std::string action_s = "Mobius"; 
+  
+  for(int i=3;i<argc;i++){
+    std::string sarg = argv[i];
+    if(sarg == "--Ls"){
+      args.Ls = std::stoi(argv[i+1]);
+      std::cout << GridLogMessage << "Set Ls to " << args.Ls << std::endl;
+    }else if(sarg == "--mass"){
+      std::istringstream ss(argv[i+1]); ss >> args.mass;
+      std::cout << GridLogMessage << "Set quark mass to " << args.mass << std::endl;
+    }else if(sarg == "--block"){
+      GridCmdOptionIntVector(argv[i+1], args.blockSize);
+      assert(args.blockSize.size() == 5);
+      std::cout << GridLogMessage << "Set block size to ";
+      for(int q=0;q<5;q++) std::cout << args.blockSize[q] << " ";
+      std::cout << std::endl;      
+    }else if(sarg == "--is_cps_cfg"){
+      args.is_cps_cfg = true;
+    }else if(sarg == "--write_irl_templ"){
+      XmlWriter writer("irl_templ.xml");
+      write(writer,"Params",args.fine);
+      Grid_finalize();
+      return 0;
+    }else if(sarg == "--read_irl_fine"){
+      std::cout << GridLogMessage << "Reading fine IRL params from " << argv[i+1] << std::endl;
+      XmlReader reader(argv[i+1]);
+      read(reader, "Params", args.fine);
+    }else if(sarg == "--write_fine"){
+      args.write_fine = true;
+      args.write_fine_file = argv[i+1];
+    }else if(sarg == "--read_fine"){
+      args.read_fine = true;
+      args.read_fine_file = argv[i+1];
+    }else if(sarg == "--coarse_relax_tol"){
+      std::istringstream ss(argv[i+1]); ss >> args.coarse_relax_tol;
+      std::cout << GridLogMessage << "Set coarse IRL relaxation parameter to " << args.coarse_relax_tol << std::endl;
+    }else if(sarg == "--action"){
+      action_s = argv[i+1];
+      std::cout << "Action set to " << action_s << std::endl;
+    }else if(sarg == "--mobius_scale"){
+      std::istringstream ss(argv[i+1]); ss >> args.mobius_scale;
+      std::cout << GridLogMessage << "Set Mobius scale to " << args.mobius_scale << std::endl;
+    }else if(sarg == "--basis_size"){
+      args.basis_size = std::stoi(argv[i+1]);
+      std::cout << GridLogMessage << "Set basis size to " << args.basis_size << std::endl;
+    }
+  }
+  
+  //Fine grids
+  GridCartesian         * UGrid     = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(),  GridDefaultSimd(Nd,vComplex::Nsimd()),   GridDefaultMpi());
+  GridRedBlackCartesian * UrbGrid   = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         * FGrid     = SpaceTimeGrid::makeFiveDimGrid(args.Ls,UGrid);
+  GridRedBlackCartesian * FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(args.Ls,UGrid);
+
+  LatticeGaugeField Umu(UGrid);  
+  
+  bool is_gparity = false;
+  for(auto g : args.GparityDirs) if(g) is_gparity = true;
+
+  double bmc =  1.;      
+  double b = (args.mobius_scale + bmc)/2.;  // b = 1/2 [ (b+c) + (b-c) ]
+  double c = (args.mobius_scale - bmc)/2.;  // c = 1/2 [ (b+c) - (b-c) ]
+    
+  if(is_gparity){
+    GparityWilsonImplD::ImplParams Params = setupGparityParams(args.GparityDirs);
+    readConfiguration<ConjugateGimplD>(Umu, config, args.is_cps_cfg);   //Read the gauge field
+    
+    if(action_s == "DWF"){    
+      GparityDomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, Params);
+      run(action, config, args);
+    }else if(action_s == "Mobius"){
+      GparityMobiusFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, b, c, Params);
+      run(action, config, args);	    
+    }      
+  }else{
+    WilsonImplD::ImplParams Params = setupParams();
+    readConfiguration<PeriodicGimplD>(Umu, config, args.is_cps_cfg);   //Read the gauge field
+    
+    if(action_s == "DWF"){    
+      DomainWallFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, Params);
+      run(action, config, args);
+    }else if(action_s == "Mobius"){
+      MobiusFermionD action(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, args.mass, args.M5, b, c, Params);
+      run(action, config, args);	    
+    }
+  } 
+  
+  Grid_finalize();
+}

tests/solver/Test_dwf_multishift_mixedprec.cc

@@ -0,0 +1,184 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_dwf_multishift_mixedprec.cc
+
+    Copyright (C) 2015
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+#include <Grid/Grid.h>
+
+using namespace Grid;
+
+template<typename SpeciesD, typename SpeciesF, typename GaugeStatisticsType>
+void run_test(int argc, char ** argv, const typename SpeciesD::ImplParams &params){
+  const int Ls = 16;
+  GridCartesian* UGrid_d = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexD::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGrid_d = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_d);
+  GridCartesian* FGrid_d = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_d);
+  GridRedBlackCartesian* FrbGrid_d = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_d);
+
+  GridCartesian* UGrid_f = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian* UrbGrid_f = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid_f);
+  GridCartesian* FGrid_f = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid_f);
+  GridRedBlackCartesian* FrbGrid_f = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid_f);
+
+  typedef typename SpeciesD::FermionField FermionFieldD;
+  typedef typename SpeciesF::FermionField FermionFieldF;
+  
+  std::vector<int> seeds4({1, 2, 3, 4});
+  std::vector<int> seeds5({5, 6, 7, 8});
+  GridParallelRNG RNG5(FGrid_d);
+  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid_d);
+  RNG4.SeedFixedIntegers(seeds4);
+
+  FermionFieldD src_d(FGrid_d);
+  random(RNG5, src_d);
+
+  LatticeGaugeFieldD Umu_d(UGrid_d);
+
+  //CPS-created G-parity ensembles have a factor of 2 error in the plaquette that causes the read to fail unless we workaround it
+  bool gparity_plaquette_fix = false;
+  for(int i=1;i<argc;i++){
+    if(std::string(argv[i]) == "--gparity_plaquette_fix"){
+      gparity_plaquette_fix=true;
+      break;
+    }
+  }
+
+  bool cfg_loaded=false;
+  for(int i=1;i<argc;i++){
+    if(std::string(argv[i]) == "--load_config"){
+      assert(i != argc-1);
+      std::string file = argv[i+1];
+      NerscIO io;
+      FieldMetaData metadata;
+
+      if(gparity_plaquette_fix) NerscIO::exitOnReadPlaquetteMismatch() = false;
+
+      io.readConfiguration<GaugeStatisticsType>(Umu_d, metadata, file);
+
+      if(gparity_plaquette_fix){
+	metadata.plaquette *= 2.; //correct header value
+
+	//Get the true plaquette
+	FieldMetaData tmp;
+	GaugeStatisticsType gs; gs(Umu_d, tmp);
+	
+	std::cout << "After correction: plaqs " << tmp.plaquette << " " << metadata.plaquette << std::endl;
+	assert(fabs(tmp.plaquette -metadata.plaquette ) < 1.0e-5 );
+      }
+
+      cfg_loaded=true;
+      break;
+    }
+  }
+
+  if(!cfg_loaded)
+    SU<Nc>::HotConfiguration(RNG4, Umu_d);
+
+  LatticeGaugeFieldF Umu_f(UGrid_f);
+  precisionChange(Umu_f, Umu_d);
+
+  std::cout << GridLogMessage << "Lattice dimensions: " << GridDefaultLatt() << "   Ls: " << Ls << std::endl;
+
+  RealD mass = 0.01;
+  RealD M5 = 1.8;
+  SpeciesD Ddwf_d(Umu_d, *FGrid_d, *FrbGrid_d, *UGrid_d, *UrbGrid_d, mass, M5, params);
+  SpeciesF Ddwf_f(Umu_f, *FGrid_f, *FrbGrid_f, *UGrid_f, *UrbGrid_f, mass, M5, params);
+
+  FermionFieldD src_o_d(FrbGrid_d);
+  pickCheckerboard(Odd, src_o_d, src_d);
+
+  SchurDiagMooeeOperator<SpeciesD, FermionFieldD> HermOpEO_d(Ddwf_d);
+  SchurDiagMooeeOperator<SpeciesF, FermionFieldF> HermOpEO_f(Ddwf_f);
+
+  AlgRemez remez(1e-4, 64, 50);
+  int order = 15;
+  remez.generateApprox(order, 1, 2); //sqrt
+
+  MultiShiftFunction shifts(remez, 1e-10, false);
+
+  int relup_freq = 50;
+  double t1=usecond();
+  ConjugateGradientMultiShiftMixedPrec<FermionFieldD,FermionFieldF> mcg(10000, shifts, FrbGrid_f, HermOpEO_f, relup_freq);
+
+  std::vector<FermionFieldD> results_o_d(order, FrbGrid_d);
+  mcg(HermOpEO_d, src_o_d, results_o_d);
+  double t2=usecond();
+
+  //Crosscheck double and mixed prec results
+  ConjugateGradientMultiShift<FermionFieldD> dmcg(10000, shifts);
+  std::vector<FermionFieldD> results_o_d_2(order, FrbGrid_d);
+  dmcg(HermOpEO_d, src_o_d, results_o_d_2);
+  double t3=usecond();
+
+  std::cout << GridLogMessage << "Comparison of mixed prec results to double prec results |mixed - double|^2 :" << std::endl;
+  FermionFieldD tmp(FrbGrid_d);
+  for(int i=0;i<order;i++){
+    RealD ndiff = axpy_norm(tmp, -1., results_o_d[i], results_o_d_2[i]);
+    std::cout << i << " " << ndiff << std::endl;
+  }
+
+  std::cout<<GridLogMessage << "Mixed precision algorithm: Total usec    =   "<< (t2-t1)<<std::endl;
+  std::cout<<GridLogMessage << "Double precision algorithm: Total usec    =   "<< (t3-t2)<<std::endl;
+}
+
+
+
+
+
+int main (int argc, char ** argv)
+{
+  Grid_init(&argc, &argv);
+
+  bool gparity = false;
+  int gpdir;
+
+  for(int i=1;i<argc;i++){
+    std::string arg(argv[i]);
+    if(arg == "--Gparity"){
+      assert(i!=argc-1);
+      gpdir = std::stoi(argv[i+1]);
+      assert(gpdir >= 0 && gpdir <= 2); //spatial!
+      gparity = true;
+    }
+  }
+  if(gparity){
+    std::cout << "Running test with G-parity BCs in " << gpdir << " direction" << std::endl;
+    GparityWilsonImplParams params;
+    params.twists[gpdir] = 1;
+    
+    std::vector<int> conj_dirs(Nd,0);
+    conj_dirs[gpdir] = 1;
+    ConjugateGimplD::setDirections(conj_dirs);
+
+    run_test<GparityDomainWallFermionD, GparityDomainWallFermionF, ConjugateGaugeStatistics>(argc,argv,params);
+  }else{
+    std::cout << "Running test with periodic BCs" << std::endl;
+    WilsonImplParams params;
+    run_test<DomainWallFermionD, DomainWallFermionF, PeriodicGaugeStatistics>(argc,argv,params);
+  }
+
+  Grid_finalize();
+}

tests/solver/Test_eofa_inv.cc

@@ -0,0 +1,125 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/solver/Test_eofa_inv.cc
+
+Copyright (C) 2017
+
+Author: Christopher Kelly <ckelly@bnl.gov>
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+Author: David Murphy <dmurphy@phys.columbia.edu>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution directory
+*************************************************************************************/
+/*  END LEGAL */
+
+#include <Grid/Grid.h>
+
+using namespace std;
+using namespace Grid;
+ ;
+
+int main (int argc, char** argv)
+{
+  Grid_init(&argc, &argv);
+
+  Coordinate latt_size   = GridDefaultLatt();
+  Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+  Coordinate mpi_layout  = GridDefaultMpi();
+
+  const int Ls = 8;
+
+  GridCartesian         *UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()), GridDefaultMpi());
+  GridRedBlackCartesian *UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         *FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid);
+  GridRedBlackCartesian *FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid);
+
+  // Want a different conf at every run
+  // First create an instance of an engine.
+  std::random_device rnd_device;
+  // Specify the engine and distribution.
+  std::mt19937 mersenne_engine(rnd_device());
+  std::uniform_int_distribution<int> dist(1, 100);
+
+  auto gen = std::bind(dist, mersenne_engine);
+  std::vector<int> seeds4(4);
+  generate(begin(seeds4), end(seeds4), gen);
+
+  //std::vector<int> seeds4({1,2,3,5});
+  std::vector<int> seeds5({5,6,7,8});
+  GridParallelRNG RNG5(FGrid);  RNG5.SeedFixedIntegers(seeds5);
+  GridParallelRNG RNG4(UGrid);  RNG4.SeedFixedIntegers(seeds4);
+
+  int threads = GridThread::GetThreads();
+  std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
+
+  LatticeFermion phi        (FGrid);  gaussian(RNG5, phi);
+  LatticeFermion Mphi       (FGrid);
+  LatticeFermion MphiPrime  (FGrid);
+
+  LatticeGaugeField U(UGrid);
+  SU<Nc>::HotConfiguration(RNG4,U);
+
+  ////////////////////////////////////
+  // Unmodified matrix element
+  ////////////////////////////////////
+  RealD b  = 2.5;
+  RealD c  = 1.5;
+  RealD mf = 0.01;
+  RealD mb = 1.0;
+  RealD M5 = 1.8;
+  MobiusEOFAFermionR Lop(U, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, 0.0, -1, M5, b, c);
+  MobiusEOFAFermionR Rop(U, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, -1.0, 1, M5, b, c);
+  OneFlavourRationalParams Params(0.95, 100.0, 5000, 1.0e-10, 12);
+  ConjugateGradient<LatticeFermion> CG(1.0e-10, 5000);
+  ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, CG, CG, CG, CG, Params, false);
+
+  GridSerialRNG  sRNG; sRNG.SeedFixedIntegers(seeds4);
+
+
+  //Random field
+  LatticeFermion eta(FGrid);
+  gaussian(RNG5,eta);
+  
+  //Check left inverse
+  LatticeFermion Meta(FGrid);
+  Meofa.Meofa(U, eta, Meta);
+
+  LatticeFermion MinvMeta(FGrid);
+  Meofa.MeofaInv(U, Meta, MinvMeta);
+
+  LatticeFermion diff = MinvMeta - eta;
+
+  std::cout << GridLogMessage << "eta: " << norm2(eta) << " M*eta: " << norm2(Meta) << " M^{-1}*M*eta: " << norm2(MinvMeta) << "  M^{-1}*M*eta - eta: " << norm2(diff) << " (expect 0)" << std::endl;
+  assert(norm2(diff) < 1e-8);
+
+  //Check right inverse
+  LatticeFermion MinvEta(FGrid);
+  Meofa.MeofaInv(U, eta, MinvEta);
+
+  LatticeFermion MMinvEta(FGrid);
+  Meofa.Meofa(U, MinvEta, MMinvEta);
+
+  diff = MMinvEta - eta;
+  
+  std::cout << GridLogMessage << "eta: " << norm2(eta) << " M^{-1}*eta: " << norm2(MinvEta) << " M*M^{-1}*eta: " << norm2(MMinvEta) << "  M*M^{-1}*eta - eta: " << norm2(diff) << " (expect 0)" << std::endl;
+  assert(norm2(diff) < 1e-8);
+
+  std::cout << GridLogMessage << "Done" << std::endl;
+  Grid_finalize();
+}