Merge pull request #391 from giltirn/feature/dirichlet-gparity-stage

First stage of import

Grid/DisableWarnings.h

@@ -34,9 +34,6 @@ 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/GridStd.h

@@ -16,6 +16,7 @@
 #include <functional>
 #include <stdio.h>
 #include <stdlib.h>
+#include <strings.h>
 #include <stdio.h>
 #include <signal.h>
 #include <ctime>

Grid/algorithms/Algorithms.h

@@ -54,7 +54,6 @@ 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

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

Grid/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -49,7 +49,6 @@ 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;
@@ -69,7 +68,6 @@ 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;
@@ -82,11 +80,6 @@ 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;
     
@@ -104,7 +97,6 @@ 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;
 
@@ -128,7 +120,7 @@ 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, wk_sp_from_dp);
+      precisionChange(src_f, src_d);
       PrecChangeTimer.Stop();
       
       sol_f = Zero();
@@ -138,7 +130,6 @@ 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);
@@ -147,7 +138,7 @@ NAMESPACE_BEGIN(Grid);
       
       //Convert sol back to double and add to double prec solution
       PrecChangeTimer.Start();
-      precisionChange(tmp_d, sol_f, wk_dp_from_sp);
+      precisionChange(tmp_d, sol_f);
       PrecChangeTimer.Stop();
       
       axpy(sol_d, 1.0, tmp_d, sol_d);
@@ -159,7 +150,6 @@ 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, const MultiShiftFunction &_shifts) : 
+  ConjugateGradientMultiShift(Integer maxit,MultiShiftFunction &_shifts) : 
     MaxIterations(maxit),
     shifts(_shifts)
   { 
@@ -182,9 +182,6 @@ public:
     for(int s=0;s<nshift;s++) {
       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

@@ -1,411 +0,0 @@
-/*************************************************************************************
-
-    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

@@ -44,7 +44,6 @@ 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,
@@ -156,7 +155,6 @@ 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);
@@ -183,16 +181,8 @@ 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)  
+  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;
@@ -211,13 +201,13 @@ 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 << " target " << eresid*eresid
+	     <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25) << vv
 	     <<std::endl;
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
     if( (vv<eresid*eresid) ) return 1;
     return 0;
   }
@@ -295,10 +285,6 @@ 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;
@@ -342,8 +328,6 @@ 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);
@@ -392,31 +376,25 @@ 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 of fine operator on fine grid
-    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace); //Fine operator on coarse grid with intermediate fine grid conversion
-    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace); //Chebyshev of fine operator on coarse grid with intermediate fine grid conversion
+    Chebyshev<FineField>                          Cheby(cheby_op);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,subspace);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,subspace);
     //////////////////////////////////////////////////////////////////////////////////////////////////
     // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
     //////////////////////////////////////////////////////////////////////////////////////////////////
 
-    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); 
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,subspace,relax);
 
     evals_coarse.resize(Nm);
     evec_coarse.resize(Nm,_CoarseGrid);
 
     CoarseField src(_CoarseGrid);     src=1.0; 
 
-    //Note the "tester" here is also responsible for generating the fine grid eigenvalues which are output into the "evals_coarse" array
     ImplicitlyRestartedLanczos<CoarseField> IRL(ChebyOp,ChebyOp,ChebySmoothTester,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
     int Nconv=0;
     IRL.calc(evals_coarse,evec_coarse,src,Nconv,false);
@@ -427,14 +405,6 @@ public:
       std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
     }
   }
-
-  //Get the fine eigenvector 'i' by reconstruction
-  void getFineEvecEval(FineField &evec, RealD &eval, const int i) const{
-    blockPromote(evec_coarse[i],evec,subspace);  
-    eval = evals_coarse[i];
-  }
-    
-    
 };
 
 NAMESPACE_END(Grid);

Grid/algorithms/iterative/PowerMethod.h

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

Grid/communicator/Communicator_base.h

@@ -53,10 +53,11 @@ public:
   // Communicator should know nothing of the physics grid, only processor grid.
   ////////////////////////////////////////////
   int              _Nprocessors;     // How many in all
-  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
   int              _processor;       // linear processor rank
-  Coordinate _processor_coor;  // linear processor coordinate
   unsigned long    _ndimension;
+  Coordinate _shm_processors;  // Which dimensions get relayed out over processors lanes.
+  Coordinate _processors;      // Which dimensions get relayed out over processors lanes.
+  Coordinate _processor_coor;  // linear processor coordinate
   static Grid_MPI_Comm      communicator_world;
   Grid_MPI_Comm             communicator;
   std::vector<Grid_MPI_Comm> communicator_halo;
@@ -97,8 +98,9 @@ public:
   int                      BossRank(void)          ;
   int                      ThisRank(void)          ;
   const Coordinate & ThisProcessorCoor(void) ;
+  const Coordinate & ShmGrid(void)  { return _shm_processors; }  ;
   const Coordinate & ProcessorGrid(void)     ;
-  int                      ProcessorCount(void)    ;
+  int                ProcessorCount(void)    ;
 
   ////////////////////////////////////////////////////////////////////////////////
   // very VERY rarely (Log, serial RNG) we need world without a grid
@@ -142,16 +144,16 @@ public:
 		      int bytes);
   
   double StencilSendToRecvFrom(void *xmit,
-			       int xmit_to_rank,
+			       int xmit_to_rank,int do_xmit,
 			       void *recv,
-			       int recv_from_rank,
+			       int recv_from_rank,int do_recv,
 			       int bytes,int dir);
 
   double StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 				    void *xmit,
-				    int xmit_to_rank,
+				    int xmit_to_rank,int do_xmit,
 				    void *recv,
-				    int recv_from_rank,
+				    int recv_from_rank,int do_recv,
 				    int bytes,int dir);
   
   

Grid/communicator/Communicator_mpi3.cc

@@ -106,7 +106,7 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors)
   // Remap using the shared memory optimising routine
   // The remap creates a comm which must be freed
   ////////////////////////////////////////////////////
-  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm,_shm_processors);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
   ///////////////////////////////////////////////////
@@ -124,12 +124,13 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
   int parent_ndimension = parent._ndimension; assert(_ndimension >= parent._ndimension);
   Coordinate parent_processor_coor(_ndimension,0);
   Coordinate parent_processors    (_ndimension,1);
-
+  Coordinate shm_processors       (_ndimension,1);
   // Can make 5d grid from 4d etc...
   int pad = _ndimension-parent_ndimension;
   for(int d=0;d<parent_ndimension;d++){
     parent_processor_coor[pad+d]=parent._processor_coor[d];
     parent_processors    [pad+d]=parent._processors[d];
+    shm_processors       [pad+d]=parent._shm_processors[d];
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -154,6 +155,7 @@ CartesianCommunicator::CartesianCommunicator(const Coordinate &processors,const
     ccoor[d] = parent_processor_coor[d] % processors[d];
     scoor[d] = parent_processor_coor[d] / processors[d];
     ssize[d] = parent_processors[d]     / processors[d];
+    if ( processors[d] < shm_processors[d] ) shm_processors[d] = processors[d]; // subnode splitting.
   }
 
   // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
@@ -335,22 +337,22 @@ void CartesianCommunicator::SendToRecvFrom(void *xmit,
 }
 // Basic Halo comms primitive
 double CartesianCommunicator::StencilSendToRecvFrom( void *xmit,
-						     int dest,
+						     int dest, int dox,
 						     void *recv,
-						     int from,
+						     int from, int dor,
 						     int bytes,int dir)
 {
   std::vector<CommsRequest_t> list;
-  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,recv,from,bytes,dir);
+  double offbytes = StencilSendToRecvFromBegin(list,xmit,dest,dox,recv,from,dor,bytes,dir);
   StencilSendToRecvFromComplete(list,dir);
   return offbytes;
 }
 
 double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsRequest_t> &list,
 							 void *xmit,
-							 int dest,
+							 int dest,int dox,
 							 void *recv,
-							 int from,
+							 int from,int dor,
 							 int bytes,int dir)
 {
   int ncomm  =communicator_halo.size();
@@ -370,28 +372,32 @@ double CartesianCommunicator::StencilSendToRecvFromBegin(std::vector<CommsReques
   double off_node_bytes=0.0;
   int tag;
 
-  if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
-    tag= dir+from*32;
-    ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
-    assert(ierr==0);
-    list.push_back(rrq);
-    off_node_bytes+=bytes;
+  if ( dox ) {
+    if ( (gfrom ==MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+from*32;
+      ierr=MPI_Irecv(recv, bytes, MPI_CHAR,from,tag,communicator_halo[commdir],&rrq);
+      assert(ierr==0);
+      list.push_back(rrq);
+      off_node_bytes+=bytes;
+    }
   }
-
-  if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
-    tag= dir+_processor*32;
-    ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
-    assert(ierr==0);
-    list.push_back(xrq);
-    off_node_bytes+=bytes;
-  } else {
+  
+  if (dor) {
+    if ( (gdest == MPI_UNDEFINED) || Stencil_force_mpi ) {
+      tag= dir+_processor*32;
+      ierr =MPI_Isend(xmit, bytes, MPI_CHAR,dest,tag,communicator_halo[commdir],&xrq);
+      assert(ierr==0);
+      list.push_back(xrq);
+      off_node_bytes+=bytes;
+    } else {
     // TODO : make a OMP loop on CPU, call threaded bcopy
-    void *shm = (void *) this->ShmBufferTranslate(dest,recv);
-    assert(shm!=NULL);
-    //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
-    acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
+      void *shm = (void *) this->ShmBufferTranslate(dest,recv);
+      assert(shm!=NULL);
+      //    std::cout <<"acceleratorCopyDeviceToDeviceAsynch"<< std::endl;
+      acceleratorCopyDeviceToDeviceAsynch(xmit,shm,bytes);
+    }
   }
-
+  
   if ( CommunicatorPolicy == CommunicatorPolicySequential ) {
     this->StencilSendToRecvFromComplete(list,dir);
   }

Grid/communicator/Communicator_none.cc

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

Grid/communicator/SharedMemory.h

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

Grid/communicator/SharedMemoryMPI.cc

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

Grid/communicator/SharedMemoryNone.cc

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

Grid/lattice/Lattice_crc.h

@@ -29,6 +29,19 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 
 NAMESPACE_BEGIN(Grid);
 
+template<class vobj> void DumpSliceNorm(std::string s,Lattice<vobj> &f,int mu=-1)
+{
+  auto ff = localNorm2(f);
+  if ( mu==-1 ) mu = f.Grid()->Nd()-1;
+  typedef typename vobj::tensor_reduced normtype;
+  typedef typename normtype::scalar_object scalar;
+  std::vector<scalar> sff;
+  sliceSum(ff,sff,mu);
+  for(int t=0;t<sff.size();t++){
+    std::cout << s<<" "<<t<<" "<<sff[t]<<std::endl;
+  }
+}
+
 template<class vobj> uint32_t crc(Lattice<vobj> & buf)
 {
   autoView( buf_v , buf, CpuRead);

Grid/lattice/Lattice_reduction.h

@@ -142,6 +142,15 @@ inline typename vobj::scalar_objectD sumD(const vobj *arg, Integer osites)
   return sumD_cpu(arg,osites);
 #endif  
 }
+template<class vobj>
+inline typename vobj::scalar_objectD sumD_large(const vobj *arg, Integer osites)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)
+  return sumD_gpu_large(arg,osites);
+#else
+  return sumD_cpu(arg,osites);
+#endif  
+}
 
 template<class vobj>
 inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
@@ -159,6 +168,22 @@ inline typename vobj::scalar_object sum(const Lattice<vobj> &arg)
   return ssum;
 }
 
+template<class vobj>
+inline typename vobj::scalar_object sum_large(const Lattice<vobj> &arg)
+{
+#if defined(GRID_CUDA)||defined(GRID_HIP)
+  autoView( arg_v, arg, AcceleratorRead);
+  Integer osites = arg.Grid()->oSites();
+  auto ssum= sum_gpu_large(&arg_v[0],osites);
+#else
+  autoView(arg_v, arg, CpuRead);
+  Integer osites = arg.Grid()->oSites();
+  auto ssum= sum_cpu(&arg_v[0],osites);
+#endif
+  arg.Grid()->GlobalSum(ssum);
+  return ssum;
+}
+
 ////////////////////////////////////////////////////////////////////////////////////////////////////
 // Deterministic Reduction operations
 ////////////////////////////////////////////////////////////////////////////////////////////////////

Grid/lattice/Lattice_reduction_gpu.h

@@ -23,7 +23,7 @@ unsigned int nextPow2(Iterator x) {
 }
 
 template <class Iterator>
-void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
+int getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator &threads, Iterator &blocks) {
   
   int device;
 #ifdef GRID_CUDA
@@ -37,13 +37,13 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   Iterator sharedMemPerBlock   = gpu_props[device].sharedMemPerBlock;
   Iterator maxThreadsPerBlock  = gpu_props[device].maxThreadsPerBlock;
   Iterator multiProcessorCount = gpu_props[device].multiProcessorCount;
-  
+  /*  
   std::cout << GridLogDebug << "GPU has:" << std::endl;
   std::cout << GridLogDebug << "\twarpSize            = " << warpSize << std::endl;
   std::cout << GridLogDebug << "\tsharedMemPerBlock   = " << sharedMemPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmaxThreadsPerBlock  = " << maxThreadsPerBlock << std::endl;
   std::cout << GridLogDebug << "\tmultiProcessorCount = " << multiProcessorCount << std::endl;
-  
+  */  
   if (warpSize != WARP_SIZE) {
     std::cout << GridLogError << "The warp size of the GPU in use does not match the warp size set when compiling Grid." << std::endl;
     exit(EXIT_FAILURE);
@@ -53,12 +53,12 @@ void getNumBlocksAndThreads(const Iterator n, const size_t sizeofsobj, Iterator
   threads = warpSize;
   if ( threads*sizeofsobj > sharedMemPerBlock ) {
     std::cout << GridLogError << "The object is too large for the shared memory." << std::endl;
-    exit(EXIT_FAILURE);
+    return 0;
   }
   while( 2*threads*sizeofsobj < sharedMemPerBlock && 2*threads <= maxThreadsPerBlock ) threads *= 2;
   // keep all the streaming multiprocessors busy
   blocks = nextPow2(multiProcessorCount);
-  
+  return 1;
 }
 
 template <class sobj, class Iterator>
@@ -198,7 +198,7 @@ __global__ void reduceKernel(const vobj *lat, sobj *buffer, Iterator n) {
 // Possibly promote to double and sum
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 template <class vobj>
-inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites) 
+inline typename vobj::scalar_objectD sumD_gpu_small(const vobj *lat, Integer osites) 
 {
   typedef typename vobj::scalar_objectD sobj;
   typedef decltype(lat) Iterator;
@@ -207,7 +207,9 @@ inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
   Integer size = osites*nsimd;
 
   Integer numThreads, numBlocks;
-  getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  assert(ok);
+
   Integer smemSize = numThreads * sizeof(sobj);
 
   Vector<sobj> buffer(numBlocks);
@@ -218,6 +220,54 @@ inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
   auto result = buffer_v[0];
   return result;
 }
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  scalarD *ret_p = (scalarD *)&ret;
+  
+  const int words = sizeof(vobj)/sizeof(vector);
+
+  Vector<vector> buffer(osites);
+  vector *dat = (vector *)lat;
+  vector *buf = &buffer[0];
+  iScalar<vector> *tbuf =(iScalar<vector> *)  &buffer[0];
+  for(int w=0;w<words;w++) {
+
+    accelerator_for(ss,osites,1,{
+	buf[ss] = dat[ss*words+w];
+      });
+      
+    ret_p[w] = sumD_gpu_small(tbuf,osites);
+  }
+  return ret;
+}
+
+template <class vobj>
+inline typename vobj::scalar_objectD sumD_gpu(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::vector_type  vector;
+  typedef typename vobj::scalar_typeD scalarD;
+  typedef typename vobj::scalar_objectD sobj;
+  sobj ret;
+  
+  Integer nsimd= vobj::Nsimd();
+  Integer size = osites*nsimd;
+  Integer numThreads, numBlocks;
+  int ok = getNumBlocksAndThreads(size, sizeof(sobj), numThreads, numBlocks);
+  
+  if ( ok ) {
+    ret = sumD_gpu_small(lat,osites);
+  } else {
+    ret = sumD_gpu_large(lat,osites);
+  }
+  return ret;
+}
+
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
 // Return as same precision as input performing reduction in double precision though
 /////////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -230,6 +280,13 @@ inline typename vobj::scalar_object sum_gpu(const vobj *lat, Integer osites)
   return result;
 }
 
-
+template <class vobj>
+inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osites)
+{
+  typedef typename vobj::scalar_object sobj;
+  sobj result;
+  result = sumD_gpu_large(lat,osites);
+  return result;
+}
 
 NAMESPACE_END(Grid);

Grid/lattice/Lattice_rng.h

@@ -32,9 +32,8 @@
 #include <random>
 
 #ifdef RNG_SITMO
-#include <Grid/random/sitmo_prng_engine.hpp>
+#include <Grid/sitmo_rng/sitmo_prng_engine.hpp>
 #endif 
-#include <Grid/random/gaussian.h>
 
 #if defined(RNG_SITMO)
 #define RNG_FAST_DISCARD
@@ -143,8 +142,8 @@ public:
 
   std::vector<RngEngine>                             _generators;
   std::vector<std::uniform_real_distribution<RealD> > _uniform;
-  std::vector<Grid::gaussian_distribution<RealD> >       _gaussian;
-  //  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
+  std::vector<std::normal_distribution<RealD> >       _gaussian;
+  std::vector<std::discrete_distribution<int32_t> >   _bernoulli;
   std::vector<std::uniform_int_distribution<uint32_t> > _uid;
 
   ///////////////////////
@@ -244,8 +243,8 @@ public:
   GridSerialRNG() : GridRNGbase() {
     _generators.resize(1);
     _uniform.resize(1,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(1,gaussian_distribution<RealD>(0.0,1.0) );
-    //    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
+    _gaussian.resize(1,std::normal_distribution<RealD>(0.0,1.0) );
+    _bernoulli.resize(1,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(1,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -358,8 +357,8 @@ public:
 
     _generators.resize(_vol);
     _uniform.resize(_vol,std::uniform_real_distribution<RealD>{0,1});
-    _gaussian.resize(_vol,gaussian_distribution<RealD>(0.0,1.0) );
-    //    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
+    _gaussian.resize(_vol,std::normal_distribution<RealD>(0.0,1.0) );
+    _bernoulli.resize(_vol,std::discrete_distribution<int32_t>{1,1});
     _uid.resize(_vol,std::uniform_int_distribution<uint32_t>() );
   }
 
@@ -516,11 +515,11 @@ 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(const Lattice<vobj> &coarse,Lattice<vobj> & fine)
+void Replicate(Lattice<vobj> &coarse,Lattice<vobj> & fine)
 {
   typedef typename vobj::scalar_object sobj;
 
@@ -1080,95 +1080,53 @@ vectorizeFromRevLexOrdArray( std::vector<sobj> &in, Lattice<vobj> &out)
   });
 }
 
-//The workspace for a precision change operation allowing for the reuse of the mapping to save time on subsequent calls
-class precisionChangeWorkspace{
-  std::pair<Integer,Integer>* fmap_device; //device pointer
-public:
-  precisionChangeWorkspace(GridBase *out_grid, GridBase *in_grid){
-    //Build a map between the sites and lanes of the output field and the input field as we cannot use the Grids on the device
-    assert(out_grid->Nd() == in_grid->Nd());
-    for(int d=0;d<out_grid->Nd();d++){
-      assert(out_grid->FullDimensions()[d] == in_grid->FullDimensions()[d]);
-    }
-    int Nsimd_out = out_grid->Nsimd();
-
-    std::vector<Coordinate> out_icorrs(out_grid->Nsimd()); //reuse these
-    for(int lane=0; lane < out_grid->Nsimd(); lane++)
-      out_grid->iCoorFromIindex(out_icorrs[lane], lane);
-  
-    std::vector<std::pair<Integer,Integer> > fmap_host(out_grid->lSites()); //lsites = osites*Nsimd
-    thread_for(out_oidx,out_grid->oSites(),{
-	Coordinate out_ocorr; 
-	out_grid->oCoorFromOindex(out_ocorr, out_oidx);
-      
-	Coordinate lcorr; //the local coordinate (common to both in and out as full coordinate)
-	for(int out_lane=0; out_lane < Nsimd_out; out_lane++){
-	  out_grid->InOutCoorToLocalCoor(out_ocorr, out_icorrs[out_lane], lcorr);
-	
-	  //int in_oidx = in_grid->oIndex(lcorr), in_lane = in_grid->iIndex(lcorr);
-	  //Note oIndex and OcorrFromOindex (and same for iIndex) are not inverse for checkerboarded lattice, the former coordinates being defined on the full lattice and the latter on the reduced lattice
-	  //Until this is fixed we need to circumvent the problem locally. Here I will use the coordinates defined on the reduced lattice for simplicity
-	  int in_oidx = 0, in_lane = 0;
-	  for(int d=0;d<in_grid->_ndimension;d++){
-	    in_oidx += in_grid->_ostride[d] * ( lcorr[d] % in_grid->_rdimensions[d] );
-	    in_lane += in_grid->_istride[d] * ( lcorr[d] / in_grid->_rdimensions[d] );
-	  }
-	  fmap_host[out_lane + Nsimd_out*out_oidx] = std::pair<Integer,Integer>( in_oidx, in_lane );
-	}
-      });
-
-    //Copy the map to the device (if we had a way to tell if an accelerator is in use we could avoid this copy for CPU-only machines)
-    size_t fmap_bytes = out_grid->lSites() * sizeof(std::pair<Integer,Integer>);
-    fmap_device = (std::pair<Integer,Integer>*)acceleratorAllocDevice(fmap_bytes);
-    acceleratorCopyToDevice(fmap_host.data(), fmap_device, fmap_bytes); 
-  }
-
-  //Prevent moving or copying
-  precisionChangeWorkspace(const precisionChangeWorkspace &r) = delete;
-  precisionChangeWorkspace(precisionChangeWorkspace &&r) = delete;
-  precisionChangeWorkspace &operator=(const precisionChangeWorkspace &r) = delete;
-  precisionChangeWorkspace &operator=(precisionChangeWorkspace &&r) = delete;
-  
-  std::pair<Integer,Integer> const* getMap() const{ return fmap_device; }
-
-  ~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);
-      }
-    });
-}
-
 //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);
-}
+void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in)
+{
+  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();
+  GridBase *in_grid=in.Grid();
+  GridBase *out_grid = out.Grid();
 
+  typedef typename VobjOut::scalar_object SobjOut;
+  typedef typename VobjIn::scalar_object SobjIn;
+
+  int ndim = out.Grid()->Nd();
+  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);
+    out_grid->oCoorFromOindex(out_ocoor, out_oidx);
+
+    ExtractPointerArray<SobjOut> ptrs(out_nsimd);      
+
+    Coordinate lcoor(out_grid->Nd());
+      
+    for(int lane=0; lane < out_nsimd; lane++){
+      for(int mu=0;mu<ndim;mu++)
+	lcoor[mu] = out_ocoor[mu] + out_grid->_rdimensions[mu]*out_icoor[lane][mu];
+	
+      int llex; Lexicographic::IndexFromCoor(lcoor, llex, out_grid->_ldimensions);
+      ptrs[lane] = &in_slex_conv[llex];
+    }
+    merge(out_v[out_oidx], ptrs, 0);
+  });
+}
 
 ////////////////////////////////////////////////////////////////////////////////
 // Communicate between grids

Grid/parallelIO/NerscIO.h

@@ -39,10 +39,8 @@ 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; }
+  typedef Lattice<vLorentzColourMatrixD> GaugeField;
 
   static inline void truncate(std::string file){
     std::ofstream fout(file,std::ios::out);
@@ -200,7 +198,7 @@ public:
       std::cerr << " nersc_csum  " <<std::hex<< nersc_csum << " " << header.checksum<< std::dec<< std::endl;
       exit(0);
     }
-    if(exitOnReadPlaquetteMismatch()) assert(fabs(clone.plaquette -header.plaquette ) < 1.0e-5 );
+    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/action/ActionBase.h

@@ -40,6 +40,29 @@ class Action
 
 public:
   bool is_smeared = false;
+  RealD deriv_norm_sum;
+  RealD deriv_max_sum;
+  int   deriv_num;
+  RealD deriv_us;
+  RealD S_us;
+  RealD refresh_us;
+  void  reset_timer(void)        {
+    deriv_us = S_us = refresh_us = 0.0;
+    deriv_num=0;
+    deriv_norm_sum = deriv_max_sum=0.0;
+  }
+  void  deriv_log(RealD nrm, RealD max) { deriv_max_sum+=max; deriv_norm_sum+=nrm; deriv_num++;}
+  RealD deriv_max_average(void)         { return deriv_max_sum/deriv_num; };
+  RealD deriv_norm_average(void)        { return deriv_norm_sum/deriv_num; };
+  RealD deriv_timer(void)        { return deriv_us; };
+  RealD S_timer(void)            { return deriv_us; };
+  RealD refresh_timer(void)      { return deriv_us; };
+  void deriv_timer_start(void)   { deriv_us-=usecond(); }
+  void deriv_timer_stop(void)    { deriv_us+=usecond(); }
+  void refresh_timer_start(void) { refresh_us-=usecond(); }
+  void refresh_timer_stop(void)  { refresh_us+=usecond(); }
+  void S_timer_start(void)       { S_us-=usecond(); }
+  void S_timer_stop(void)        { S_us+=usecond(); }
   // Heatbath?
   virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) = 0; // refresh pseudofermions
   virtual RealD S(const GaugeField& U) = 0;                             // evaluate the action

Grid/qcd/action/ActionCore.h

@@ -37,6 +37,10 @@ NAMESPACE_CHECK(ActionSet);
 #include <Grid/qcd/action/ActionParams.h>
 NAMESPACE_CHECK(ActionParams);
 
+#include <Grid/qcd/action/filters/MomentumFilter.h>
+#include <Grid/qcd/action/filters/DirichletFilter.h>
+#include <Grid/qcd/action/filters/DDHMCFilter.h>
+
 ////////////////////////////////////////////
 // Gauge Actions
 ////////////////////////////////////////////

Grid/qcd/action/ActionParams.h

@@ -36,8 +36,7 @@ NAMESPACE_BEGIN(Grid);
 
 // These can move into a params header and be given MacroMagic serialisation
 struct GparityWilsonImplParams {
-  Coordinate twists; //Here the first Nd-1 directions are treated as "spatial", and a twist value of 1 indicates G-parity BCs in that direction. 
-                     //mu=Nd-1 is assumed to be the time direction and a twist value of 1 indicates antiperiodic BCs
+  Coordinate twists;
   GparityWilsonImplParams() : twists(Nd, 0) {};
 };
   
@@ -64,10 +63,10 @@ struct StaggeredImplParams {
 				    RealD, hi, 
 				    int,   MaxIter, 
 				    RealD, tolerance, 
+				    RealD, mdtolerance, 
 				    int,   degree, 
 				    int,   precision,
-				    int,   BoundsCheckFreq,
-				    RealD, BoundsCheckTol);
+				    int,   BoundsCheckFreq);
     
   // MaxIter and tolerance, vectors??
     
@@ -79,60 +78,16 @@ struct StaggeredImplParams {
                            	int _degree    = 10,
 				int _precision = 64,
 				int _BoundsCheckFreq=20,
-				double _BoundsCheckTol=1e-6)
+				RealD mdtol    = 1.0e-6)
       : lo(_lo),
 	hi(_hi),
 	MaxIter(_maxit),
 	tolerance(tol),
+        mdtolerance(mdtol),
 	degree(_degree),
         precision(_precision),
-        BoundsCheckFreq(_BoundsCheckFreq),
-        BoundsCheckTol(_BoundsCheckTol){};
+        BoundsCheckFreq(_BoundsCheckFreq){};
   };
-
-
-  /*Action parameters for the generalized rational action
-    The approximation is for (M^dag M)^{1/inv_pow}
-    where inv_pow is the denominator of the fractional power.
-    Default inv_pow=2 for square root, making this equivalent to 
-    the OneFlavourRational action
-  */
-    struct RationalActionParams : Serializable {
-    GRID_SERIALIZABLE_CLASS_MEMBERS(RationalActionParams, 
-				    int, inv_pow, 
-				    RealD, lo, //low eigenvalue bound of rational approx
-				    RealD, hi, //high eigenvalue bound of rational approx
-				    int,   MaxIter,  //maximum iterations in msCG
-				    RealD, action_tolerance,  //msCG tolerance in action evaluation
-				    int,   action_degree, //rational approx tolerance in action evaluation
-				    RealD, md_tolerance,  //msCG tolerance in MD integration
-				    int,   md_degree, //rational approx tolerance in MD integration
-				    int,   precision, //precision of floating point arithmetic
-				    int,   BoundsCheckFreq); //frequency the approximation is tested (with Metropolis degree/tolerance); 0 disables the check
-  // constructor 
-  RationalActionParams(int _inv_pow = 2,
-		       RealD _lo      = 0.0, 
-		       RealD _hi      = 1.0, 
-		       int _maxit     = 1000,
-		       RealD _action_tolerance      = 1.0e-8, 
-		       int _action_degree    = 10,
-		       RealD _md_tolerance      = 1.0e-8, 
-		       int _md_degree    = 10,
-		       int _precision = 64,
-		       int _BoundsCheckFreq=20)
-    : inv_pow(_inv_pow), 
-      lo(_lo),
-      hi(_hi),
-      MaxIter(_maxit),
-      action_tolerance(_action_tolerance),
-      action_degree(_action_degree),
-      md_tolerance(_md_tolerance),
-      md_degree(_md_degree),
-      precision(_precision),
-      BoundsCheckFreq(_BoundsCheckFreq){};
-  };
-
-
   
 NAMESPACE_END(Grid);
 

Grid/qcd/action/fermion/CayleyFermion5D.h

@@ -68,7 +68,7 @@ public:
   ///////////////////////////////////////////////////////////////
   // Support for MADWF tricks
   ///////////////////////////////////////////////////////////////
-  RealD Mass(void) { return mass; };
+  virtual RealD Mass(void) { return mass; };
   void  SetMass(RealD _mass) { 
     mass=_mass; 
     SetCoefficientsInternal(_zolo_hi,_gamma,_b,_c);  // Reset coeffs

Grid/qcd/action/fermion/FermionOperator.h

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

Grid/qcd/action/fermion/GparityWilsonImpl.h

@@ -30,18 +30,6 @@ 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:
@@ -125,7 +113,7 @@ public:
     || ((distance== 1)&&(icoor[direction]==1))
     || ((distance==-1)&&(icoor[direction]==0));
 
-    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
+    permute_lane = permute_lane && SE->_around_the_world && St.parameters.twists[mmu]; //only if we are going around the world
 
     //Apply the links
     int f_upper = permute_lane ? 1 : 0;
@@ -151,10 +139,10 @@ public:
     assert((distance == 1) || (distance == -1));  // nearest neighbour stencil hard code
     assert((sl == 1) || (sl == 2));
 
-    //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 ( 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);
@@ -209,19 +197,6 @@ 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);
@@ -232,19 +207,14 @@ public:
     GaugeLinkField Uconj(GaugeGrid);
    
     Lattice<iScalar<vInteger> > coor(GaugeGrid);
-
-    //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);
-      }
+        
+    for(int mu=0;mu<Nd;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] ) { 
@@ -259,7 +229,7 @@ public:
 	thread_foreach(ss,U_v,{
 	    Uds_v[ss](0)(mu) = U_v[ss]();
 	    Uds_v[ss](1)(mu) = Uconj_v[ss]();
-	});
+	  });
       }
           
       U     = adj(Cshift(U    ,mu,-1));      // correct except for spanning the boundary
@@ -290,38 +260,6 @@ 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) {
@@ -360,48 +298,28 @@ public:
   inline void extractLinkField(std::vector<GaugeLinkField> &mat, DoubledGaugeField &Uds){
     assert(0);
   }
- 
-  inline void InsertForce5D(GaugeField &mat, FermionField &Btilde, FermionField &Atilde, int mu) {
-    int Ls=Btilde.Grid()->_fdimensions[0];
-    
-    {
-      GridBase *GaugeGrid = mat.Grid();
-      Lattice<iScalar<vInteger> > coor(GaugeGrid);
-
-      if( Params.twists[mu] ){
-	LatticeCoordinate(coor,mu);
-      }
-
-      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);
-  	});
-    }
-  }
-
-
   
+  inline void InsertForce5D(GaugeField &mat, FermionField &Btilde, FermionField &Atilde, int mu) {
 
+    int Ls = Btilde.Grid()->_fdimensions[0];
+        
+    GaugeLinkField tmp(mat.Grid());
+    tmp = Zero();
+    {
+      autoView( tmp_v , tmp, CpuWrite);
+      autoView( Atilde_v , Atilde, CpuRead);
+      autoView( Btilde_v , Btilde, CpuRead);
+      thread_for(ss,tmp.Grid()->oSites(),{
+	  for (int s = 0; s < Ls; s++) {
+	    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));
+	  }
+	});
+    }
+    PokeIndex<LorentzIndex>(mat, tmp, mu);
+    return;
+  }
   
 };
 

Grid/qcd/action/fermion/WilsonFermion5D.h

@@ -75,6 +75,10 @@ public:
   FermionField _tmp;
   FermionField &tmp(void) { return _tmp; }
 
+  int Dirichlet;
+  Coordinate Block; 
+
+  /********** Deprecate timers **********/
   void Report(void);
   void ZeroCounters(void);
   double DhopCalls;
@@ -173,7 +177,18 @@ public:
 		  GridCartesian         &FourDimGrid,
 		  GridRedBlackCartesian &FourDimRedBlackGrid,
 		  double _M5,const ImplParams &p= ImplParams());
-    
+
+  virtual void DirichletBlock(Coordinate & block)
+  {
+    assert(block.size()==Nd+1);
+    if ( block[0] || block[1] || block[2] || block[3] || block[4] ){
+      Dirichlet = 1;
+      Block = block;
+      Stencil.DirichletBlock(block); 
+      StencilEven.DirichletBlock(block); 
+      StencilOdd.DirichletBlock(block);
+    }
+  }
   // Constructors
   /*
     WilsonFermion5D(int simd, 

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

@@ -60,7 +60,8 @@ WilsonFermion5D<Impl>::WilsonFermion5D(GaugeField &_Umu,
   UmuOdd (_FourDimRedBlackGrid),
   Lebesgue(_FourDimGrid),
   LebesgueEvenOdd(_FourDimRedBlackGrid),
-  _tmp(&FiveDimRedBlackGrid)
+  _tmp(&FiveDimRedBlackGrid),
+  Dirichlet(0)
 {
   // some assertions
   assert(FiveDimGrid._ndimension==5);
@@ -218,6 +219,14 @@ void WilsonFermion5D<Impl>::ImportGauge(const GaugeField &_Umu)
 {
   GaugeField HUmu(_Umu.Grid());
   HUmu = _Umu*(-0.5);
+  if ( Dirichlet ) {
+    std::cout << GridLogMessage << " Dirichlet BCs 5d " <<Block<<std::endl;
+    Coordinate GaugeBlock(Nd);
+    for(int d=0;d<Nd;d++) GaugeBlock[d] = Block[d+1];
+    std::cout << GridLogMessage << " Dirichlet BCs 4d " <<GaugeBlock<<std::endl;
+    DirichletFilter<GaugeField> Filter(GaugeBlock);
+    Filter.applyFilter(HUmu);
+  }
   Impl::DoubleStore(GaugeGrid(),Umu,HUmu);
   pickCheckerboard(Even,UmuEven,Umu);
   pickCheckerboard(Odd ,UmuOdd,Umu);

Grid/qcd/action/filters/DDHMCFilter.h

@@ -0,0 +1,102 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/integrators/DirichletFilter.h
+
+Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+//--------------------------------------------------------------------
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+////////////////////////////////////////////////////
+// DDHMC filter with sub-block size B[mu]
+////////////////////////////////////////////////////
+
+template<typename GaugeField>
+struct DDHMCFilter: public MomentumFilterBase<GaugeField>
+{
+  Coordinate Block;
+  int Width;
+  
+  DDHMCFilter(const Coordinate &_Block,int _Width=2): Block(_Block) { Width=_Width; }
+
+  void applyFilter(GaugeField &U) const override
+  {
+    GridBase *grid = U.Grid();
+    Coordinate Global=grid->GlobalDimensions();
+    GaugeField zzz(grid); zzz = Zero();
+    LatticeInteger coor(grid); 
+    
+    auto zzz_mu = PeekIndex<LorentzIndex>(zzz,0);
+    ////////////////////////////////////////////////////
+    // Zero BDY layers
+    ////////////////////////////////////////////////////
+    std::cout<<GridLogMessage<<" DDHMC Force Filter Block "<<Block<<" width " <<Width<<std::endl;
+    for(int mu=0;mu<Nd;mu++) {
+
+      Integer B1 = Block[mu];
+      if ( B1 && (B1 <= Global[mu]) ) {
+	LatticeCoordinate(coor,mu);
+
+	////////////////////////////////
+	// OmegaBar - zero all links contained in slice B-1,0 and
+	// mu links connecting to Omega
+	////////////////////////////////
+	if ( Width==1) { 
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-2),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+	if ( Width==2) { 
+	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-3),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+	if ( Width==3) { 
+	  U    = where(mod(coor,B1)==Integer(B1-3),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-2),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(B1-1),zzz,U);
+	  U    = where(mod(coor,B1)==Integer(0)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(1)   ,zzz,U); 
+	  U    = where(mod(coor,B1)==Integer(2)   ,zzz,U); 
+	  auto U_mu   = PeekIndex<LorentzIndex>(U,mu);
+	  U_mu = where(mod(coor,B1)==Integer(B1-4),zzz_mu,U_mu); 
+	  PokeIndex<LorentzIndex>(U, U_mu, mu);
+	}
+      }
+
+    }
+   
+  }
+};
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/filters/DirichletFilter.h

@@ -0,0 +1,71 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./lib/qcd/hmc/integrators/DirichletFilter.h
+
+Copyright (C) 2015
+
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+//--------------------------------------------------------------------
+#pragma once
+
+NAMESPACE_BEGIN(Grid);
+
+template<typename MomentaField>
+struct DirichletFilter: public MomentumFilterBase<MomentaField>
+{
+  typedef typename MomentaField::vector_type vector_type; //SIMD-vectorized complex type
+  typedef typename MomentaField::scalar_type scalar_type; //scalar complex type
+
+  typedef iScalar<iScalar<iScalar<vector_type> > >            ScalarType; //complex phase for each site
+  
+  Coordinate Block;
+  
+  DirichletFilter(const Coordinate &_Block): Block(_Block){}
+
+  void applyFilter(MomentaField &P) const override
+  {
+    GridBase *grid = P.Grid();
+    typedef decltype(PeekIndex<LorentzIndex>(P, 0)) LatCM;
+    ////////////////////////////////////////////////////
+    // Zero strictly links crossing between domains
+    ////////////////////////////////////////////////////
+    LatticeInteger coor(grid); 
+    LatCM zz(grid); zz = Zero();
+    for(int mu=0;mu<Nd;mu++) {
+      if ( (Block[mu]) && (Block[mu] < grid->GlobalDimensions()[mu] ) ) {
+	// If costly could provide Grid earlier and precompute masks
+	std::cout << " Dirichlet in mu="<<mu<<std::endl;
+	LatticeCoordinate(coor,mu);
+	auto P_mu = PeekIndex<LorentzIndex>(P, mu);
+	P_mu = where(mod(coor,Block[mu])==Integer(Block[mu]-1),zz,P_mu);
+	PokeIndex<LorentzIndex>(P, P_mu, mu);
+      }
+    }
+  }
+};
+
+
+
+NAMESPACE_END(Grid);
+

Grid/qcd/action/filters/MomentumFilter.h

@@ -37,7 +37,7 @@ NAMESPACE_BEGIN(Grid);
 
 template<typename MomentaField>
 struct MomentumFilterBase{
-  virtual void applyFilter(MomentaField &P) const;
+  virtual void applyFilter(MomentaField &P) const = 0;
 };
 
 //Do nothing

Grid/qcd/action/gauge/GaugeImplementations.h

@@ -69,11 +69,6 @@ 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; }
 };
 
@@ -115,11 +110,6 @@ 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)
   {
@@ -139,13 +129,6 @@ 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);
@@ -155,27 +138,6 @@ 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

@@ -13,6 +13,31 @@ NAMESPACE_BEGIN(Grid);
       std::cout << GridLogMessage << "Pseudofermion action lamda_max "<<lambda_max<<"( bound "<<hi<<")"<<std::endl;
       assert( (lambda_max < hi) && " High Bounds Check on operator failed" );
     }
+
+     template<class Field> void ChebyBoundsCheck(LinearOperatorBase<Field> &HermOp,
+						 Field &GaussNoise,
+						 RealD lo,RealD hi) 
+    {
+      int orderfilter = 1000;
+      Chebyshev<Field> Cheb(lo,hi,orderfilter);
+
+      GridBase *FermionGrid = GaussNoise.Grid();
+
+      Field X(FermionGrid);
+      Field Z(FermionGrid);
+
+      X=GaussNoise;
+      RealD Nx = norm2(X);
+      Cheb(HermOp,X,Z);
+      RealD Nz = norm2(Z);
+
+      std::cout << "************************* "<<std::endl;
+      std::cout << " noise                    = "<<Nx<<std::endl;
+      std::cout << " Cheb x noise             = "<<Nz<<std::endl;
+      std::cout << " Ratio                    = "<<Nz/Nx<<std::endl;
+      std::cout << "************************* "<<std::endl;
+      assert( ((Nz/Nx)<1.0) && " ChebyBoundsCheck ");
+    }
       
     template<class Field> void InverseSqrtBoundsCheck(int MaxIter,double tol,
 						       LinearOperatorBase<Field> &HermOp,
@@ -40,66 +65,13 @@ NAMESPACE_BEGIN(Grid);
       X=X-Y;
       RealD Nd = norm2(X);
       std::cout << "************************* "<<std::endl;
-      std::cout << " | noise |^2                         = "<<Nx<<std::endl;
-      std::cout << " | (MdagM^-1/2)^2  noise |^2         = "<<Nz<<std::endl;
-      std::cout << " | MdagM (MdagM^-1/2)^2  noise |^2   = "<<Ny<<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 << " noise                         = "<<Nx<<std::endl;
+      std::cout << " (MdagM^-1/2)^2  noise         = "<<Nz<<std::endl;
+      std::cout << " MdagM (MdagM^-1/2)^2  noise   = "<<Ny<<std::endl;
+      std::cout << " noise - MdagM (MdagM^-1/2)^2  noise   = "<<Nd<<std::endl;
       std::cout << "************************* "<<std::endl;
       assert( (std::sqrt(Nd/Nx)<tol) && " InverseSqrtBoundsCheck ");
     }
 
-    /* For a HermOp = M^dag M, check the approximation of  HermOp^{-1/inv_pow}
-       by computing   |X -    HermOp * [ Hermop^{-1/inv_pow} ]^{inv_pow} X|  < tol  
-       for noise X (aka GaussNoise).
-       ApproxNegPow should be the rational approximation for   X^{-1/inv_pow}
-    */
-    template<class Field> void InversePowerBoundsCheck(int inv_pow,
-						       int MaxIter,double tol,
-						       LinearOperatorBase<Field> &HermOp,
-						       Field &GaussNoise,
-						       MultiShiftFunction &ApproxNegPow) 
-    {
-      GridBase *FermionGrid = GaussNoise.Grid();
-
-      Field X(FermionGrid);
-      Field Y(FermionGrid);
-      Field Z(FermionGrid);
-
-      Field tmp1(FermionGrid), tmp2(FermionGrid);
-
-      X=GaussNoise;
-      RealD Nx = norm2(X);
-
-      ConjugateGradientMultiShift<Field> msCG(MaxIter,ApproxNegPow);
-
-      tmp1 = X;
-      
-      Field* in = &tmp1;
-      Field* out = &tmp2;
-      for(int i=0;i<inv_pow;i++){ //apply  [ Hermop^{-1/inv_pow}  ]^{inv_pow} X =   HermOp^{-1} X
-	msCG(HermOp, *in, *out); //backwards conventions!
-	if(i!=inv_pow-1) std::swap(in, out);
-      }
-      Z = *out;
-
-      RealD Nz = norm2(Z);
-
-      HermOp.HermOp(Z,Y);
-      RealD Ny = norm2(Y);
-
-      X=X-Y;
-      RealD Nd = norm2(X);
-      std::cout << "************************* "<<std::endl;
-      std::cout << " | noise |^2                         = "<<Nx<<std::endl;
-      std::cout << " | (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2        = "<<Nz<<std::endl;
-      std::cout << " | MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2   = "<<Ny<<std::endl;
-      std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |^2  = "<<Nd<<std::endl;
-      std::cout << " | noise - MdagM (MdagM^-1/" << inv_pow << ")^" << inv_pow << " noise |/| noise |  = "<<std::sqrt(Nd/Nx)<<std::endl;
-      std::cout << "************************* "<<std::endl;
-      assert( (std::sqrt(Nd/Nx)<tol) && " InversePowerBoundsCheck ");
-    }
-
-
 NAMESPACE_END(Grid);
 

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h

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

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourPseudoFermion.h

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

Grid/qcd/action/pseudofermion/DomainDecomposedBoundaryTwoFlavourRatioPseudoFermion.h

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

Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h

@@ -44,10 +44,6 @@ 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>
   {
@@ -61,60 +57,37 @@ NAMESPACE_BEGIN(Grid);
       bool use_heatbath_forecasting;
       AbstractEOFAFermion<Impl>& Lop; // the basic LH operator
       AbstractEOFAFermion<Impl>& Rop; // the basic RH operator
-      SchurRedBlackDiagMooeeSolve<FermionField> SolverHBL;
-      SchurRedBlackDiagMooeeSolve<FermionField> SolverHBR;
+      SchurRedBlackDiagMooeeSolve<FermionField> SolverHB;
       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,CG,p,use_fc) {};
-
-      //Use the same solver for L,R in the heatbath but different solvers elsewhere
+	: ExactOneFlavourRatioPseudoFermionAction(_Lop,_Rop,CG,CG,CG,CG,CG,p,use_fc) {};
+	
       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>& HeatbathCG, 
 					      OperatorFunction<FermionField>& ActionCGL, OperatorFunction<FermionField>& ActionCGR, 
 					      OperatorFunction<FermionField>& DerivCGL , OperatorFunction<FermionField>& DerivCGR, 
 					      Params& p, 
 					      bool use_fc=false) : 
         Lop(_Lop), 
 	Rop(_Rop), 
-	SolverHBL(HeatbathCGL,false,true), SolverHBR(HeatbathCGR,false,true),
+	SolverHB(HeatbathCG,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),
-	initial_action(false)
+        use_heatbath_forecasting(use_fc)
       {
         AlgRemez remez(param.lo, param.hi, param.precision);
 
@@ -124,8 +97,6 @@ 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() {
@@ -146,19 +117,6 @@ 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
@@ -166,10 +124,12 @@ 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
       //
-     void refresh(const GaugeField &U, const FermionField &eta) {
+      virtual void refresh(const GaugeField& U, GridSerialRNG &sRNG, GridParallelRNG& pRNG)
+      {
         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());
@@ -180,6 +140,11 @@ 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] ); }
@@ -195,16 +160,15 @@ NAMESPACE_BEGIN(Grid);
         tmp[1] = Zero();
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-          heatbathRefreshShiftCoefficients(0, -gamma_l);
-	  //Lop.RefreshShiftCoefficients(-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);
-            SolverHBL(Lop, CG_src, CG_soln);
+            SolverHB(Lop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero(); // Just use zero as the initial guess
-	    SolverHBL(Lop, CG_src, CG_soln);
+            SolverHB(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];
@@ -223,16 +187,15 @@ NAMESPACE_BEGIN(Grid);
         if(use_heatbath_forecasting){ prev_solns.clear(); } // empirically, LH solns don't help for RH solves
         for(int k=0; k<param.degree; ++k){
           gamma_l = 1.0 / ( 1.0 + PowerNegHalf.poles[k] );
-	  heatbathRefreshShiftCoefficients(1, -gamma_l*PowerNegHalf.poles[k]);
-          //Rop.RefreshShiftCoefficients(-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);
-            SolverHBR(Rop, CG_src, CG_soln);
+            SolverHB(Rop, CG_src, CG_soln);
             prev_solns.push_back(CG_soln);
           } else {
             CG_soln = Zero();
-            SolverHBR(Rop, CG_src, CG_soln);
+            SolverHB(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];
@@ -242,119 +205,49 @@ NAMESPACE_BEGIN(Grid);
         Phi = Phi + tmp[1];
 
         // Reset shift coefficients for energy and force evals
-        //Lop.RefreshShiftCoefficients(0.0);
-        //Rop.RefreshShiftCoefficients(-1.0);
-	heatbathRefreshShiftCoefficients(0, 0.0);
-	heatbathRefreshShiftCoefficients(1, -1.0);
-
-	//Mark that the next call to S is the first after refresh
-	initial_action = true;
-
+        Lop.RefreshShiftCoefficients(0.0);
+        Rop.RefreshShiftCoefficients(-1.0);
 
 	// Bounds check
 	RealD EtaDagEta = norm2(eta);
-	norm2_eta = EtaDagEta;
-
 	//	RealD PhiDagMPhi= norm2(eta);
 
       };
 
-      void Meofa(const GaugeField& U,const FermionField &in, FermionField & out) 
+      void Meofa(const GaugeField& U,const FermionField &phi, FermionField & Mphi) 
       {
+#if 0
         Lop.ImportGauge(U);
         Rop.ImportGauge(U);
 
-        FermionField spProj_in(Lop.FermionGrid());
+        FermionField spProj_Phi(Lop.FermionGrid());
+	FermionField mPhi(Lop.FermionGrid());
         std::vector<FermionField> tmp(2, Lop.FermionGrid());
-	out = in;
+	mPhi = phi;
 	
         // LH term: S = S - k <\Phi| P_{-} \Omega_{-}^{\dagger} H(mf)^{-1} \Omega_{-} P_{-} |\Phi>
-        spProj(in, spProj_in, -1, Lop.Ls);
-        Lop.Omega(spProj_in, tmp[0], -1, 0);
+        spProj(Phi, spProj_Phi, -1, Lop.Ls);
+        Lop.Omega(spProj_Phi, 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);
-	spProj(tmp[0], tmp[1], -1, Lop.Ls);
-
-	out = out -  Lop.k * tmp[1];
+	mPhi = mPhi -  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>
-        spProj(in, spProj_in, 1, Rop.Ls);
-        Rop.Omega(spProj_in, tmp[0], 1, 0);
+        //               - \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]);
         tmp[0] = Zero();
         SolverR(Rop, tmp[1], tmp[0]);
         Rop.Dtilde(tmp[0], tmp[1]);
         Rop.Omega(tmp[1], tmp[0], 1, 1);
-	spProj(tmp[0], tmp[1], 1, Rop.Ls);
-
-        out = out + Rop.k * tmp[1];
+        action += Rop.k * innerProduct(spProj_Phi, tmp[0]).real();
+#endif
       }
 
-      //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)
       {
@@ -378,7 +271,7 @@ 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]);
@@ -388,26 +281,6 @@ 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;
       };
 
@@ -456,40 +329,6 @@ 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

@@ -1,372 +0,0 @@
-    /*************************************************************************************
-
-    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

@@ -1,93 +0,0 @@
-    /*************************************************************************************
-
-    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

@@ -40,31 +40,257 @@ NAMESPACE_BEGIN(Grid);
     // Here N/D \sim R_{-1/2} ~ (M^dagM)^{-1/2}  
   
     template<class Impl>
-    class OneFlavourEvenOddRatioRationalPseudoFermionAction : public GeneralEvenOddRatioRationalPseudoFermionAction<Impl> {
+    class OneFlavourEvenOddRatioRationalPseudoFermionAction : public Action<typename Impl::GaugeField> {
     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){
-	RationalActionParams out;
-	out.inv_pow = 2;
-	out.lo = in.lo;
-	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;
+     
+      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
+      FermionField Noise; // spare noise field for bounds check
+
+    public:
+
+      OneFlavourEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
+					    FermionOperator<Impl>  &_DenOp, 
+					    Params & p
+					    ) : 
+      NumOp(_NumOp), 
+      DenOp(_DenOp), 
+      PhiOdd (_NumOp.FermionRedBlackGrid()),
+      PhiEven(_NumOp.FermionRedBlackGrid()),
+      Noise(_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(){
+	std::stringstream sstream;
+	sstream<< "OneFlavourEvenOddRatioRationalPseudoFermionAction det("<< DenOp.Mass() << ") / det("<<NumOp.Mass()<<")";
+	return sstream.str();
       }
 
-    public:
-      OneFlavourEvenOddRatioRationalPseudoFermionAction(FermionOperator<Impl>  &_NumOp, 
-							FermionOperator<Impl>  &_DenOp, 
-							const Params & p
-							) : 
-	GeneralEvenOddRatioRationalPseudoFermionAction<Impl>(_NumOp, _DenOp, transcribe(p)){}
+      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) {
 
-      virtual std::string action_name(){return "OneFlavourEvenOddRatioRationalPseudoFermionAction";}      
+	// S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi       
+	//
+	// 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);
+
+	Noise = etaOdd;
+	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 = Noise;
+	  HighBoundCheck(MdagM,gauss,param.hi);
+	  InverseSqrtBoundsCheck(param.MaxIter,param.tolerance*100,MdagM,gauss,PowerNegHalf);
+	  ChebyBoundsCheck(MdagM,Noise,param.lo,param.hi);
+	}
+
+	//  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/OneFlavourRationalRatio.h

@@ -49,10 +49,12 @@ NAMESPACE_BEGIN(Grid);
       Params param;
 
       MultiShiftFunction PowerHalf   ;
-      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerQuarter;
+      MultiShiftFunction PowerNegHalf;
       MultiShiftFunction PowerNegQuarter;
 
+      MultiShiftFunction MDPowerQuarter;
+      MultiShiftFunction MDPowerNegHalf;
     private:
      
       FermionOperator<Impl> & NumOp;// the basic operator
@@ -79,6 +81,10 @@ NAMESPACE_BEGIN(Grid);
 	remez.generateApprox(param.degree,1,4);
    	PowerQuarter.Init(remez,param.tolerance,false);
 	PowerNegQuarter.Init(remez,param.tolerance,true);
+
+	// Derive solves different tol
+   	MDPowerQuarter.Init(remez,param.mdtolerance,false);
+	MDPowerNegHalf.Init(remez,param.mdtolerance,true);
       };
 
       virtual std::string action_name(){return "OneFlavourRatioRationalPseudoFermionAction";}
@@ -204,8 +210,8 @@ NAMESPACE_BEGIN(Grid);
 
       virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
 
-	const int n_f  = PowerNegHalf.poles.size();
-	const int n_pv = PowerQuarter.poles.size();
+	const int n_f  = MDPowerNegHalf.poles.size();
+	const int n_pv = MDPowerQuarter.poles.size();
 
 	std::vector<FermionField> MpvPhi_k     (n_pv,NumOp.FermionGrid());
 	std::vector<FermionField> MpvMfMpvPhi_k(n_pv,NumOp.FermionGrid());
@@ -224,8 +230,8 @@ NAMESPACE_BEGIN(Grid);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> MdagM(DenOp);
 	MdagMLinearOperator<FermionOperator<Impl> ,FermionField> VdagV(NumOp);
 
-	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,PowerQuarter);
-	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,PowerNegHalf);
+	ConjugateGradientMultiShift<FermionField> msCG_V(param.MaxIter,MDPowerQuarter);
+	ConjugateGradientMultiShift<FermionField> msCG_M(param.MaxIter,MDPowerNegHalf);
 
 	msCG_V(VdagV,Phi,MpvPhi_k,MpvPhi);
 	msCG_M(MdagM,MpvPhi,MfMpvPhi_k,MfMpvPhi);
@@ -244,7 +250,7 @@ NAMESPACE_BEGIN(Grid);
 
 	//(1)
 	for(int k=0;k<n_f;k++){
-	  ak = PowerNegHalf.residues[k];
+	  ak = MDPowerNegHalf.residues[k];
 	  DenOp.M(MfMpvPhi_k[k],Y);
 	  DenOp.MDeriv(tmp , MfMpvPhi_k[k], Y,DaggerYes );  dSdU=dSdU+ak*tmp;
 	  DenOp.MDeriv(tmp , Y, MfMpvPhi_k[k], DaggerNo );  dSdU=dSdU+ak*tmp;
@@ -254,7 +260,7 @@ NAMESPACE_BEGIN(Grid);
 	//(3)
 	for(int k=0;k<n_pv;k++){
 
-          ak = PowerQuarter.residues[k];
+          ak = MDPowerQuarter.residues[k];
 	  
 	  NumOp.M(MpvPhi_k[k],Y);
 	  NumOp.MDeriv(tmp,MpvMfMpvPhi_k[k],Y,DaggerYes); dSdU=dSdU+ak*tmp;

Grid/qcd/action/pseudofermion/PseudoFermion.h

@@ -40,8 +40,6 @@ 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

@@ -75,18 +75,28 @@ NAMESPACE_BEGIN(Grid);
           conformable(_NumOp.GaugeRedBlackGrid(), _DenOp.GaugeRedBlackGrid());
         };
 
-      virtual std::string action_name(){return "TwoFlavourEvenOddRatioPseudoFermionAction";}
+      virtual std::string action_name(){
+	std::stringstream sstream;
+	sstream<<"TwoFlavourEvenOddRatioPseudoFermionAction det("<<DenOp.Mass()<<") / det("<<NumOp.Mass()<<")";
+	return sstream.str();
+      }
 
       virtual std::string LogParameters(){
 	std::stringstream sstream;
-	sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
+	sstream<< GridLogMessage << "["<<action_name()<<"] -- No further parameters "<<std::endl;
 	return sstream.str();
       } 
 
-      //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.
@@ -94,22 +104,12 @@ 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);
 
@@ -129,8 +129,8 @@ NAMESPACE_BEGIN(Grid);
         DenOp.MooeeDag(etaEven,tmp);
         NumOp.MooeeInvDag(tmp,PhiEven);
 
-        //PhiOdd =PhiOdd*scale;
-        //PhiEven=PhiEven*scale;
+        PhiOdd =PhiOdd*scale;
+        PhiEven=PhiEven*scale;
         
       };
 

Grid/qcd/action/pseudofermion/TwoFlavourRatioEO4DPseudoFermion.h

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

Grid/qcd/hmc/GenericHMCrunner.h

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

Grid/qcd/hmc/HMC.h

@@ -34,6 +34,7 @@ directory
 			    * @brief Classes for Hybrid Monte Carlo update
 			    *
 			    * @author Guido Cossu
+			    * @author Peter Boyle
 			    */
 			   //--------------------------------------------------------------------
 #pragma once
@@ -115,22 +116,17 @@ private:
 
     random(sRNG, rn_test);
 
-    std::cout << GridLogHMC
-              << "--------------------------------------------------\n";
-    std::cout << GridLogHMC << "exp(-dH) = " << prob
-              << "  Random = " << rn_test << "\n";
-    std::cout << GridLogHMC
-              << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "exp(-dH) = " << prob << "  Random = " << rn_test << "\n";
+    std::cout << GridLogHMC << "Acc. Probability = " << ((prob < 1.0) ? prob : 1.0) << "\n";
 
     if ((prob > 1.0) || (rn_test <= prob)) {  // accepted
       std::cout << GridLogHMC << "Metropolis_test -- ACCEPTED\n";
-      std::cout << GridLogHMC
-                << "--------------------------------------------------\n";
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
       return true;
     } else {  // rejected
       std::cout << GridLogHMC << "Metropolis_test -- REJECTED\n";
-      std::cout << GridLogHMC
-                << "--------------------------------------------------\n";
+      std::cout << GridLogHMC << "--------------------------------------------------\n";
       return false;
     }
   }
@@ -139,19 +135,68 @@ private:
   // Evolution
   /////////////////////////////////////////////////////////
   RealD evolve_hmc_step(Field &U) {
-    TheIntegrator.refresh(U, sRNG, pRNG);  // set U and initialize P and phi's
 
-    RealD H0 = TheIntegrator.S(U);  // initial state action
+    GridBase *Grid = U.Grid();
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // Mainly for DDHMC perform a random translation of U modulo volume
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Random shifting gauge field by [";
+    for(int d=0;d<Grid->Nd();d++) {
+
+      int L = Grid->GlobalDimensions()[d];
+
+      RealD rn_uniform;  random(sRNG, rn_uniform);
+
+      int shift = (int) (rn_uniform*L);
+
+      std::cout << shift;
+      if(d<Grid->Nd()-1) std::cout <<",";
+      else               std::cout <<"]\n";
+      
+      U = Cshift(U,d,shift);
+    }
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    TheIntegrator.reset_timer();
+    
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // set U and initialize P and phi's
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Refresh momenta and pseudofermions";
+    TheIntegrator.refresh(U, sRNG, pRNG);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // initial state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute initial action";
+    RealD H0 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
     std::streamsize current_precision = std::cout.precision();
     std::cout.precision(15);
     std::cout << GridLogHMC << "Total H before trajectory = " << H0 << "\n";
     std::cout.precision(current_precision);
 
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << " Molecular Dynamics evolution ";
     TheIntegrator.integrate(U);
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
-    RealD H1 = TheIntegrator.S(U);  // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    // updated state action
+    //////////////////////////////////////////////////////////////////////////////////////////////////////
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
+    std::cout << GridLogMessage << "Compute final action";
+    RealD H1 = TheIntegrator.S(U);  
+    std::cout << GridLogMessage << "--------------------------------------------------\n";
 
+
+    
     ///////////////////////////////////////////////////////////
     if(0){
       std::cout << "------------------------- Reversibility test" << std::endl;
@@ -163,17 +208,16 @@ private:
     }
     ///////////////////////////////////////////////////////////
 
-
     std::cout.precision(15);
-    std::cout << GridLogHMC << "Total H after trajectory  = " << H1
-	      << "  dH = " << H1 - H0 << "\n";
+
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+    std::cout << GridLogHMC << "Total H after trajectory  = " << H1 << "  dH = " << H1 - H0 << "\n";
+    std::cout << GridLogHMC << "--------------------------------------------------\n";
+
     std::cout.precision(current_precision);
     
     return (H1 - H0);
   }
-  
-
-  
 
 public:
   /////////////////////////////////////////
@@ -195,8 +239,11 @@ public:
 
     // Actual updates (evolve a copy Ucopy then copy back eventually)
     unsigned int FinalTrajectory = Params.Trajectories + Params.NoMetropolisUntil + Params.StartTrajectory;
+
     for (int traj = Params.StartTrajectory; traj < FinalTrajectory; ++traj) {
+
       std::cout << GridLogHMC << "-- # Trajectory = " << traj << "\n";
+
       if (traj < Params.StartTrajectory + Params.NoMetropolisUntil) {
       	std::cout << GridLogHMC << "-- Thermalization" << std::endl;
       }
@@ -216,11 +263,10 @@ public:
       if (accept)
         Ucur = Ucopy; 
       
-     
-      
       double t1=usecond();
       std::cout << GridLogHMC << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
 
+      TheIntegrator.print_timer();
 
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;

Grid/qcd/hmc/HMCModules.h

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

Grid/qcd/hmc/HMCResourceManager.h

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

Grid/qcd/hmc/integrators/Integrator.h

@@ -33,7 +33,6 @@ directory
 #define INTEGRATOR_INCLUDED
 
 #include <memory>
-#include "MomentumFilter.h"
 
 NAMESPACE_BEGIN(Grid);
 
@@ -67,6 +66,7 @@ public:
 template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
+
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
 
@@ -119,42 +119,58 @@ protected:
     }
   } update_P_hireps{};
 
+ 
   void update_P(MomentaField& Mom, Field& U, int level, double ep) {
     // input U actually not used in the fundamental case
     // Fundamental updates, include smearing
 
     for (int a = 0; a < as[level].actions.size(); ++a) {
+
       double start_full = usecond();
       Field force(U.Grid());
       conformable(U.Grid(), Mom.Grid());
 
       Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
       double start_force = usecond();
+      as[level].actions.at(a)->deriv_timer_start();
       as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+      as[level].actions.at(a)->deriv_timer_stop();
 
       std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
+      auto name = as[level].actions.at(a)->action_name();
       if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
+
       force = FieldImplementation::projectForce(force); // Ta for gauge fields
       double end_force = usecond();
 
-      Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
+      MomFilter->applyFilter(force);
+      std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<< std::endl;
+      //      DumpSliceNorm("force ",force,Nd-1);
+      
+      Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
 
-      Real max_force_abs = std::sqrt(maxLocalNorm2(force));
-      Real max_impulse_abs = max_force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
+      Real force_max   = std::sqrt(maxLocalNorm2(force));
+      Real impulse_max = force_max * ep * HMC_MOMENTUM_DENOMINATOR;    
+
+      as[level].actions.at(a)->deriv_log(force_abs,force_max);
+      
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force average: " << force_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Force max    : " << force_max <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt average  : " << impulse_abs <<" "<<name<<std::endl;
+      std::cout << GridLogIntegrator<< "["<<level<<"]["<<a<<"] Fdt max      : " << impulse_max <<" "<<name<<std::endl;
 
-      std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << " Max force: " << max_force_abs << " Time step: " << ep << " Impulse average: " << impulse_abs << " Max impulse: " << max_impulse_abs << std::endl;
       Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;; 
       double end_full = usecond();
       double time_full  = (end_full - start_full) / 1e3;
       double time_force = (end_force - start_force) / 1e3;
       std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)"  << std::endl;
+
     }
 
     // Force from the other representations
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
 
-    MomFilter->applyFilter(Mom);
   }
 
   void update_U(Field& U, double ep) 
@@ -168,8 +184,12 @@ protected:
   
   void update_U(MomentaField& Mom, Field& U, double ep) 
   {
+    MomentaField MomFiltered(Mom.Grid());
+    MomFiltered = Mom;
+    MomFilter->applyFilter(MomFiltered);
+
     // exponential of Mom*U in the gauge fields case
-    FieldImplementation::update_field(Mom, U, ep);
+    FieldImplementation::update_field(MomFiltered, U, ep);
 
     // Update the smeared fields, can be implemented as observer
     Smearer.set_Field(U);
@@ -212,6 +232,66 @@ public:
   const MomentaField & getMomentum() const{ return P; }
   
 
+  void reset_timer(void)
+  {
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+        as[level].actions.at(actionID)->reset_timer();
+      }
+    }
+  }
+  void print_timer(void)
+  {
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
+    std::cout << GridLogMessage << " Refresh cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->refresh_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Action cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->S_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force cumulative timings "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] "
+		  << as[level].actions.at(actionID)->deriv_us*1.0e-6<<" s"<< std::endl;
+      }
+    }
+    std::cout << GridLogMessage << "--------------------------- "<<std::endl;
+    std::cout << GridLogMessage << " Force average size "<<std::endl;
+    std::cout << GridLogMessage << "------------------------- "<<std::endl;
+    for (int level = 0; level < as.size(); ++level) {
+      for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
+	std::cout << GridLogMessage 
+		  << as[level].actions.at(actionID)->action_name()
+		  <<"["<<level<<"]["<< actionID<<"] : "
+		  <<" force max " << as[level].actions.at(actionID)->deriv_max_average()
+		  <<" norm "      << as[level].actions.at(actionID)->deriv_norm_average()
+		  <<" calls "     << as[level].actions.at(actionID)->deriv_num
+		  << std::endl;
+      }
+    }
+    std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
+  }
+  
   void print_parameters()
   {
     std::cout << GridLogMessage << "[Integrator] Name : "<< integrator_name() << std::endl;
@@ -230,7 +310,6 @@ public:
       }
     }
     std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::"<< std::endl;
-
   }
 
   void reverse_momenta()
@@ -255,19 +334,15 @@ public:
   void refresh(Field& U,  GridSerialRNG & sRNG, GridParallelRNG& pRNG) 
   {
     assert(P.Grid() == U.Grid());
-    std::cout << GridLogIntegrator << "Integrator refresh" << std::endl;
+    std::cout << GridLogIntegrator << "Integrator refresh\n";
 
-    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
@@ -277,16 +352,19 @@ 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;
+	auto name = as[level].actions.at(actionID)->action_name();
+        std::cout << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
+
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
+	as[level].actions.at(actionID)->refresh_timer_start();
         as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
+	as[level].actions.at(actionID)->refresh_timer_stop();
       }
 
       // Refresh the higher representation actions
       as[level].apply(refresh_hireps, Representations, sRNG, pRNG);
     }
 
-    MomFilter->applyFilter(P);
   }
 
   // to be used by the actionlevel class to iterate
@@ -321,7 +399,9 @@ public:
         // based on the boolean is_smeared in actionID
         Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
+	        as[level].actions.at(actionID)->S_timer_start();
         Hterm = as[level].actions.at(actionID)->S(Us);
+   	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
       }

Grid/qcd/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(Pars.Smearing.maxTau, Usmear);
+	Real T0   = WF.energyDensityPlaquette(Usmear);
 	std::cout << GridLogMessage << std::setprecision(std::numeric_limits<Real>::digits10 + 1)
 		  << "T0                : [ " << traj << " ] "<< T0 << std::endl;
       }

Grid/qcd/smearing/WilsonFlow.h

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

@@ -88,12 +88,6 @@ 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);
-  }
 
 }
 
@@ -164,9 +158,6 @@ 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();
@@ -185,9 +176,6 @@ 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)
   {
@@ -220,35 +208,6 @@ 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

@@ -40,46 +40,27 @@ public:
   typedef typename Gimpl::GaugeLinkField GaugeMat;
   typedef typename Gimpl::GaugeField GaugeLorentz;
 
-  //A_\mu(x) = -i Ta(U_\mu(x) )   where Ta(U) = 1/2( U - U^dag ) - 1/2N tr(U - U^dag)  is the traceless antihermitian part. This is an O(A^3) approximation to the logarithm of U
-  static void GaugeLinkToLieAlgebraField(const GaugeMat &U, GaugeMat &A) {
-    Complex cmi(0.0,-1.0);
-    A = Ta(U) * cmi;
+  static void GaugeLinkToLieAlgebraField(const std::vector<GaugeMat> &U,std::vector<GaugeMat> &A) {
+    for(int mu=0;mu<Nd;mu++){
+      Complex cmi(0.0,-1.0);
+      A[mu] = Ta(U[mu]) * cmi;
+    }
   }
-  
-  //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);
-
+  static void DmuAmu(const std::vector<GaugeMat> &A,GaugeMat &dmuAmu,int orthog) {
     dmuAmu=Zero();
     for(int mu=0;mu<Nd;mu++){
       if ( mu != orthog ) {
-	//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;
+	dmuAmu = dmuAmu + A[mu] - Cshift(A[mu],mu,-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) {
+  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);
   }
-
-  //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) {
+  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();
 
@@ -141,24 +122,27 @@ 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<Gimpl>(U,g);
+    SU<Nc>::GaugeTransform(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();
 
@@ -173,7 +157,11 @@ public:
 
     GaugeMat g(grid);
     GaugeMat dmuAmu_p(grid);
-    DmuAmu(U,dmuAmu,orthog);
+    std::vector<GaugeMat> A(Nd,grid);
+
+    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;
@@ -217,16 +205,16 @@ public:
     Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
 
     xform = g*xform ;
-    SU<Nc>::GaugeTransform<Gimpl>(U,g);
+    SU<Nc>::GaugeTransform(U,g);
 
     return trG;
   }
 
-  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &U,GaugeMat &g, Real alpha, GaugeMat &dmuAmu,int orthog) {
+  static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &A,GaugeMat &g,Real & alpha, GaugeMat &dmuAmu,int orthog) {
     GridBase *grid = g.Grid();
     Complex cialpha(0.0,-alpha);
     GaugeMat ciadmam(grid);
-    DmuAmu(U,dmuAmu,orthog);
+    DmuAmu(A,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 Gimpl>
-  static void GaugeTransform(typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
+  template<typename GaugeField,typename GaugeMat>
+  static void GaugeTransform( GaugeField &Umu, GaugeMat &g){
     GridBase *grid = Umu.Grid();
     conformable(grid,g.Grid());
 
-    typename Gimpl::GaugeLinkField U(grid);
-    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
+    GaugeMat U(grid);
+    GaugeMat ag(grid); ag = adj(g);
 
     for(int mu=0;mu<Nd;mu++){
       U= PeekIndex<LorentzIndex>(Umu,mu);
-      U = g*U*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
+      U = g*U*Cshift(ag, mu, 1);
       PokeIndex<LorentzIndex>(Umu,U,mu);
     }
   }
-  template<typename Gimpl>
-  static void GaugeTransform( std::vector<typename Gimpl::GaugeLinkField> &U, typename Gimpl::GaugeLinkField &g){
+  template<typename GaugeMat>
+  static void GaugeTransform( std::vector<GaugeMat> &U, GaugeMat &g){
     GridBase *grid = g.Grid();
-    typename Gimpl::GaugeLinkField ag(grid); ag = adj(g);
+    GaugeMat ag(grid); ag = adj(g);
     for(int mu=0;mu<Nd;mu++){
-      U[mu] = g*U[mu]*Gimpl::CshiftLink(ag, mu, 1); //BC-aware
+      U[mu] = g*U[mu]*Cshift(ag, mu, 1);
     }
   }
-  template<typename Gimpl>
-  static void RandomGaugeTransform(GridParallelRNG &pRNG, typename Gimpl::GaugeField &Umu, typename Gimpl::GaugeLinkField &g){
+  template<typename GaugeField,typename GaugeMat>
+  static void RandomGaugeTransform(GridParallelRNG &pRNG, GaugeField &Umu, GaugeMat &g){
     LieRandomize(pRNG,g,1.0);
-    GaugeTransform<Gimpl>(Umu,g);
+    GaugeTransform(Umu,g);
   }
 
   // Projects the algebra components a lattice matrix (of dimension ncol*ncol -1 )

Grid/qcd/utils/WilsonLoops.h

@@ -125,56 +125,6 @@ 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
@@ -413,11 +363,11 @@ 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 + Gimpl::CshiftLink(vu, mu, -1));
+      FS = (u*v + Cshift(vu, mu, -1));
       FS = 0.125*(FS - adj(FS));
   }
 
-  static Real TopologicalCharge(const GaugeLorentz &U){
+  static Real TopologicalCharge(GaugeLorentz &U){
     // 4d topological charge
     assert(Nd==4);
     // Bx = -iF(y,z), By = -iF(z,y), Bz = -iF(x,y)
@@ -440,203 +390,6 @@ 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

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

Grid/stencil/Stencil.h

@@ -131,8 +131,11 @@ class CartesianStencilAccelerator {
   int           _checkerboard;
   int           _npoints; // Move to template param?
   int           _osites;
+  int           _dirichlet;
   StencilVector _directions;
   StencilVector _distances;
+  StencilVector _comms_send;
+  StencilVector _comms_recv;
   StencilVector _comm_buf_size;
   StencilVector _permute_type;
   StencilVector same_node;
@@ -226,6 +229,8 @@ public:
     void * recv_buf;
     Integer to_rank;
     Integer from_rank;
+    Integer do_send;
+    Integer do_recv;
     Integer bytes;
   };
   struct Merge {
@@ -240,7 +245,20 @@ public:
     cobj * mpi_p;
     Integer buffer_size;
   };
-
+  struct CopyReceiveBuffer {
+    void * from_p;
+    void * to_p;
+    Integer bytes;
+  };
+  struct CachedTransfer {
+    Integer direction;
+    Integer OrthogPlane;
+    Integer DestProc;
+    Integer bytes;
+    Integer lane;
+    Integer cb;
+    void *recv_buf;
+  };
 
 protected:
   GridBase *                        _grid;
@@ -271,7 +289,8 @@ public:
   std::vector<Merge> MergersSHM;
   std::vector<Decompress> Decompressions;
   std::vector<Decompress> DecompressionsSHM;
-
+  std::vector<CopyReceiveBuffer> CopyReceiveBuffers ;
+  std::vector<CachedTransfer> CachedTransfers;
   ///////////////////////////////////////////////////////////
   // Unified Comms buffers for all directions
   ///////////////////////////////////////////////////////////
@@ -284,29 +303,6 @@ public:
   int u_comm_offset;
   int _unified_buffer_size;
 
-  /////////////////////////////////////////
-  // Timing info; ugly; possibly temporary
-  /////////////////////////////////////////
-  double commtime;
-  double mpi3synctime;
-  double mpi3synctime_g;
-  double shmmergetime;
-  double gathertime;
-  double gathermtime;
-  double halogtime;
-  double mergetime;
-  double decompresstime;
-  double comms_bytes;
-  double shm_bytes;
-  double splicetime;
-  double nosplicetime;
-  double calls;
-  std::vector<double> comm_bytes_thr;
-  std::vector<double> shm_bytes_thr;
-  std::vector<double> comm_time_thr;
-  std::vector<double> comm_enter_thr;
-  std::vector<double> comm_leave_thr;
-
   ////////////////////////////////////////
   // Stencil query
   ////////////////////////////////////////
@@ -333,11 +329,12 @@ public:
   //////////////////////////////////////////
   // Comms packet queue for asynch thread
   // Use OpenMP Tasks for cleaner ???
+  // must be called *inside* parallel region
   //////////////////////////////////////////
+  /*
   void CommunicateThreaded()
   {
 #ifdef GRID_OMP
-    // must be called in parallel region
     int mythread = omp_get_thread_num();
     int nthreads = CartesianCommunicator::nCommThreads;
 #else
@@ -346,65 +343,29 @@ public:
 #endif
     if (nthreads == -1) nthreads = 1;
     if (mythread < nthreads) {
-      comm_enter_thr[mythread] = usecond();
       for (int i = mythread; i < Packets.size(); i += nthreads) {
 	uint64_t bytes = _grid->StencilSendToRecvFrom(Packets[i].send_buf,
 						      Packets[i].to_rank,
 						      Packets[i].recv_buf,
 						      Packets[i].from_rank,
 						      Packets[i].bytes,i);
-	comm_bytes_thr[mythread] += bytes;
-	shm_bytes_thr[mythread] += 2*Packets[i].bytes-bytes; // Send + Recv.
-
       }
-      comm_leave_thr[mythread]= usecond();
-      comm_time_thr[mythread] += comm_leave_thr[mythread] - comm_enter_thr[mythread];
     }
   }
-
-  void CollateThreads(void)
-  {
-    int nthreads = CartesianCommunicator::nCommThreads;
-    double first=0.0;
-    double last =0.0;
-
-    for(int t=0;t<nthreads;t++) {
-
-      double t0 = comm_enter_thr[t];
-      double t1 = comm_leave_thr[t];
-      comms_bytes+=comm_bytes_thr[t];
-      shm_bytes  +=shm_bytes_thr[t];
-
-      comm_enter_thr[t] = 0.0;
-      comm_leave_thr[t] = 0.0;
-      comm_time_thr[t]   = 0.0;
-      comm_bytes_thr[t]=0;
-      shm_bytes_thr[t]=0;
-
-      if ( first == 0.0 ) first = t0;                   // first is t0
-      if ( (t0 > 0.0) && ( t0 < first ) ) first = t0;   // min time seen
-
-      if ( t1 > last ) last = t1;                       // max time seen
-
-    }
-    commtime+= last-first;
-  }
+  */
   ////////////////////////////////////////////////////////////////////////
   // Non blocking send and receive. Necessarily parallel.
   ////////////////////////////////////////////////////////////////////////
   void CommunicateBegin(std::vector<std::vector<CommsRequest_t> > &reqs)
   {
     reqs.resize(Packets.size());
-    commtime-=usecond();
     for(int i=0;i<Packets.size();i++){
-      uint64_t bytes=_grid->StencilSendToRecvFromBegin(reqs[i],
-						     Packets[i].send_buf,
-						     Packets[i].to_rank,
-						     Packets[i].recv_buf,
-						     Packets[i].from_rank,
-						     Packets[i].bytes,i);
-      comms_bytes+=bytes;
-      shm_bytes  +=2*Packets[i].bytes-bytes;
+      _grid->StencilSendToRecvFromBegin(reqs[i],
+					Packets[i].send_buf,
+					Packets[i].to_rank,Packets[i].do_send,
+					Packets[i].recv_buf,
+					Packets[i].from_rank,Packets[i].do_recv,
+					Packets[i].bytes,i);
     }
   }
 
@@ -413,7 +374,6 @@ public:
     for(int i=0;i<Packets.size();i++){
       _grid->StencilSendToRecvFromComplete(reqs[i],i);
     }
-    commtime+=usecond();
   }
   ////////////////////////////////////////////////////////////////////////
   // Blocking send and receive. Either sequential or parallel.
@@ -421,28 +381,27 @@ public:
   void Communicate(void)
   {
     if ( CartesianCommunicator::CommunicatorPolicy == CartesianCommunicator::CommunicatorPolicySequential ){
-      thread_region {
-	// must be called in parallel region
-	int mythread  = thread_num();
-	int maxthreads= thread_max();
-	int nthreads = CartesianCommunicator::nCommThreads;
-	assert(nthreads <= maxthreads);
-	if (nthreads == -1) nthreads = 1;
-	if (mythread < nthreads) {
-	  for (int i = mythread; i < Packets.size(); i += nthreads) {
-	    double start = usecond();
-	    uint64_t bytes= _grid->StencilSendToRecvFrom(Packets[i].send_buf,
-							 Packets[i].to_rank,
-							 Packets[i].recv_buf,
-							 Packets[i].from_rank,
-							 Packets[i].bytes,i);
-	    comm_bytes_thr[mythread] += bytes;
-	    shm_bytes_thr[mythread]  += Packets[i].bytes - bytes;
-	    comm_time_thr[mythread]  += usecond() - start;
-	  }
-	}
-      }
-    } else { // Concurrent and non-threaded asynch calls to MPI
+      /////////////////////////////////////////////////////////
+      // several way threaded on different communicators.
+      // Cannot combine with Dirichlet operators
+      // This scheme is needed on Intel Omnipath for best performance
+      // Deprecate once there are very few omnipath clusters
+      /////////////////////////////////////////////////////////
+      int nthreads = CartesianCommunicator::nCommThreads;
+      int old = GridThread::GetThreads();
+      GridThread::SetThreads(nthreads);
+      thread_for(i,Packets.size(),{
+	  _grid->StencilSendToRecvFrom(Packets[i].send_buf,
+				       Packets[i].to_rank,Packets[i].do_send,
+				       Packets[i].recv_buf,
+				       Packets[i].from_rank,Packets[i].do_recv,
+				       Packets[i].bytes,i);
+      });
+      GridThread::SetThreads(old);
+    } else { 
+      /////////////////////////////////////////////////////////
+      // Concurrent and non-threaded asynch calls to MPI
+      /////////////////////////////////////////////////////////
       std::vector<std::vector<CommsRequest_t> > reqs;
       this->CommunicateBegin(reqs);
       this->CommunicateComplete(reqs);
@@ -484,31 +443,23 @@ public:
       sshift[1] = _grid->CheckerBoardShiftForCB(this->_checkerboard,dimension,shift,Odd);
       if ( sshift[0] == sshift[1] ) {
 	if (splice_dim) {
-	  splicetime-=usecond();
-	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx);
+	  auto tmp  = GatherSimd(source,dimension,shift,0x3,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp;
-	  splicetime+=usecond();
 	} else {
-	  nosplicetime-=usecond();
-	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx);
+	  auto tmp  = Gather(source,dimension,shift,0x3,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp;
-	  nosplicetime+=usecond();
 	}
       } else {
 	if(splice_dim){
-	  splicetime-=usecond();
 	  // if checkerboard is unfavourable take two passes
 	  // both with block stride loop iteration
-	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx);
-	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx);
+	  auto tmp1 =  GatherSimd(source,dimension,shift,0x1,compress,face_idx,point);
+	  auto tmp2 =  GatherSimd(source,dimension,shift,0x2,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp1 && tmp2;
-	  splicetime+=usecond();
 	} else {
-	  nosplicetime-=usecond();
-	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx);
-	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx);
+	  auto tmp1 = Gather(source,dimension,shift,0x1,compress,face_idx,point);
+	  auto tmp2 = Gather(source,dimension,shift,0x2,compress,face_idx,point);
 	  is_same_node = is_same_node && tmp1 && tmp2;
-	  nosplicetime+=usecond();
 	}
       }
     }
@@ -518,13 +469,10 @@ public:
   template<class compressor>
   void HaloGather(const Lattice<vobj> &source,compressor &compress)
   {
-    mpi3synctime_g-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
-    mpi3synctime_g+=usecond();
 
     // conformable(source.Grid(),_grid);
     assert(source.Grid()==_grid);
-    halogtime-=usecond();
 
     u_comm_offset=0;
 
@@ -538,7 +486,6 @@ public:
     assert(u_comm_offset==_unified_buffer_size);
 
     accelerator_barrier();
-    halogtime+=usecond();
   }
 
   /////////////////////////
@@ -551,14 +498,72 @@ public:
     Mergers.resize(0);
     MergersSHM.resize(0);
     Packets.resize(0);
-    calls++;
+    CopyReceiveBuffers.resize(0);
+    CachedTransfers.resize(0);
   }
-  void AddPacket(void *xmit,void * rcv, Integer to,Integer from,Integer bytes){
+  void AddCopy(void *from,void * to, Integer bytes)
+  {
+    //    std::cout << "Adding CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<bytes<<std::endl;
+    CopyReceiveBuffer obj;
+    obj.from_p = from;
+    obj.to_p = to;
+    obj.bytes= bytes;
+    CopyReceiveBuffers.push_back(obj);
+  }
+  void CommsCopy()
+  {
+    //    These are device resident MPI buffers.
+    for(int i=0;i<CopyReceiveBuffers.size();i++){
+      cobj *from=(cobj *)CopyReceiveBuffers[i].from_p;
+      cobj *to  =(cobj *)CopyReceiveBuffers[i].to_p;
+      Integer words = CopyReceiveBuffers[i].bytes/sizeof(cobj);
+      //    std::cout << "CopyReceiveBuffer "<<std::hex<<from<<" "<<to<<std::dec<<" "<<words*sizeof(cobj)<<std::endl;
+      accelerator_forNB(j, words, cobj::Nsimd(), {
+	  coalescedWrite(to[j] ,coalescedRead(from [j]));
+      });
+    }
+  }
+  
+  Integer CheckForDuplicate(Integer direction, Integer OrthogPlane, Integer DestProc, void *recv_buf,Integer lane,Integer bytes,Integer cb)
+  {
+    CachedTransfer obj;
+    obj.direction   = direction;
+    obj.OrthogPlane = OrthogPlane;
+    obj.DestProc    = DestProc;
+    obj.recv_buf    = recv_buf;
+    obj.lane        = lane;
+    obj.bytes       = bytes;
+    obj.cb          = cb;
+
+    for(int i=0;i<CachedTransfers.size();i++){
+      if (   (CachedTransfers[i].direction  ==direction)
+	   &&(CachedTransfers[i].OrthogPlane==OrthogPlane)
+	   &&(CachedTransfers[i].DestProc   ==DestProc)
+	   &&(CachedTransfers[i].bytes      ==bytes)
+	   &&(CachedTransfers[i].lane       ==lane)
+	   &&(CachedTransfers[i].cb         ==cb)
+	     ){
+	//	std::cout << "Found duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<< " bytes "<<bytes <<std::endl;
+	AddCopy(CachedTransfers[i].recv_buf,recv_buf,bytes);
+	return 1;
+      }
+    }
+
+    //    std::cout << "No duplicate plane dir "<<direction<<" plane "<< OrthogPlane<< " simd "<<lane << " relproc "<<DestProc<<"  bytes "<<bytes<<std::endl;
+    CachedTransfers.push_back(obj);
+    return 0;
+  }
+  void AddPacket(void *xmit,void * rcv,
+		 Integer to, Integer do_send,
+		 Integer from, Integer do_recv,
+		 Integer bytes){
     Packet p;
     p.send_buf = xmit;
     p.recv_buf = rcv;
     p.to_rank  = to;
     p.from_rank= from;
+    p.do_send  = do_send;
+    p.do_recv  = do_recv;
     p.bytes    = bytes;
     Packets.push_back(p);
   }
@@ -578,22 +583,17 @@ public:
     mv.push_back(m);
   }
   template<class decompressor>  void CommsMerge(decompressor decompress)    {
+    CommsCopy();
     CommsMerge(decompress,Mergers,Decompressions);
   }
   template<class decompressor>  void CommsMergeSHM(decompressor decompress) {
-    mpi3synctime-=usecond();
     _grid->StencilBarrier();// Synch shared memory on a single nodes
-    mpi3synctime+=usecond();
-    shmmergetime-=usecond();
     CommsMerge(decompress,MergersSHM,DecompressionsSHM);
-    shmmergetime+=usecond();
   }
 
   template<class decompressor>
-  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd) {
-
-    
-    mergetime-=usecond();
+  void CommsMerge(decompressor decompress,std::vector<Merge> &mm,std::vector<Decompress> &dd)
+  {
     for(int i=0;i<mm.size();i++){
       auto mp = &mm[i].mpointer[0];
       auto vp0= &mm[i].vpointers[0][0];
@@ -603,9 +603,7 @@ public:
 	  decompress.Exchange(mp,vp0,vp1,type,o);
       });
     }
-    mergetime+=usecond();
 
-    decompresstime-=usecond();
     for(int i=0;i<dd.size();i++){
       auto kp = dd[i].kernel_p;
       auto mp = dd[i].mpi_p;
@@ -613,7 +611,6 @@ public:
 	decompress.Decompress(kp,mp,o);
       });
     }
-    decompresstime+=usecond();
   }
   ////////////////////////////////////////
   // Set up routines
@@ -650,19 +647,58 @@ public:
       }
     }
   }
-
+  /// Introduce a block structure and switch off comms on boundaries
+  void DirichletBlock(const Coordinate &dirichlet_block)
+  {
+    this->_dirichlet = 1;
+    for(int ii=0;ii<this->_npoints;ii++){
+      int dimension    = this->_directions[ii];
+      int displacement = this->_distances[ii];
+      int shift = displacement;
+      int gd = _grid->_gdimensions[dimension];
+      int fd = _grid->_fdimensions[dimension];
+      int pd = _grid->_processors [dimension];
+      int ld = gd/pd;
+      int pc = _grid->_processor_coor[dimension];
+      ///////////////////////////////////////////
+      // Figure out dirichlet send and receive
+      // on this leg of stencil.
+      ///////////////////////////////////////////
+      int comm_dim        = _grid->_processors[dimension] >1 ;
+      int block = dirichlet_block[dimension];
+      this->_comms_send[ii] = comm_dim;
+      this->_comms_recv[ii] = comm_dim;
+      if ( block ) {
+	assert(abs(displacement) < ld );
+      
+	if( displacement > 0 ) {
+	  // High side, low side
+	  // | <--B--->|
+	  // |    |    |
+	  //           noR
+	  // noS
+	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_recv[ii] = 0;
+	  if ( ( ld*pc ) % block == 0    ) this->_comms_send[ii] = 0;
+	} else {
+	  // High side, low side
+	  // | <--B--->|
+	  // |    |    |
+	  //           noS
+	  // noR
+	  if ( (ld*(pc+1) ) % block == 0 ) this->_comms_send[ii] = 0;
+	  if ( ( ld*pc ) % block    == 0 ) this->_comms_recv[ii] = 0;
+	}
+      }
+    }
+  }
   CartesianStencil(GridBase *grid,
 		   int npoints,
 		   int checkerboard,
 		   const std::vector<int> &directions,
 		   const std::vector<int> &distances,
 		   Parameters p)
-    : shm_bytes_thr(npoints),
-      comm_bytes_thr(npoints),
-      comm_enter_thr(npoints),
-      comm_leave_thr(npoints),
-      comm_time_thr(npoints)
   {
+    this->_dirichlet = 0;
     face_table_computed=0;
     _grid    = grid;
     this->parameters=p;
@@ -675,6 +711,8 @@ public:
     this->_simd_layout = _grid->_simd_layout; // copy simd_layout to give access to Accelerator Kernels
     this->_directions = StencilVector(directions);
     this->_distances  = StencilVector(distances);
+    this->_comms_send.resize(npoints); 
+    this->_comms_recv.resize(npoints); 
     this->same_node.resize(npoints);
 
     _unified_buffer_size=0;
@@ -693,24 +731,27 @@ public:
       int displacement = distances[i];
       int shift = displacement;
 
+      int gd = _grid->_gdimensions[dimension];
       int fd = _grid->_fdimensions[dimension];
+      int pd = _grid->_processors [dimension];
+      int ld = gd/pd;
       int rd = _grid->_rdimensions[dimension];
+      int pc = _grid->_processor_coor[dimension];
       this->_permute_type[point]=_grid->PermuteType(dimension);
 
       this->_checkerboard = checkerboard;
 
-      //////////////////////////
-      // the permute type
-      //////////////////////////
       int simd_layout     = _grid->_simd_layout[dimension];
       int comm_dim        = _grid->_processors[dimension] >1 ;
       int splice_dim      = _grid->_simd_layout[dimension]>1 && (comm_dim);
       int rotate_dim      = _grid->_simd_layout[dimension]>2;
 
+      this->_comms_send[ii] = comm_dim;
+      this->_comms_recv[ii] = comm_dim;
+
       assert ( (rotate_dim && comm_dim) == false) ; // Do not think spread out is supported
 
       int sshift[2];
-
       //////////////////////////
       // Underlying approach. For each local site build
       // up a table containing the npoint "neighbours" and whether they
@@ -811,6 +852,7 @@ public:
     GridBase *grid=_grid;
     const int Nsimd = grid->Nsimd();
 
+    int comms_recv      = this->_comms_recv[point];
     int fd              = _grid->_fdimensions[dimension];
     int ld              = _grid->_ldimensions[dimension];
     int rd              = _grid->_rdimensions[dimension];
@@ -867,7 +909,9 @@ public:
       if ( (shiftpm== 1) && (sx<x) && (grid->_processor_coor[dimension]==grid->_processors[dimension]-1) ) {
 	wraparound = 1;
       }
-      if (!offnode) {
+
+      // Wrap locally dirichlet support case OR node local
+      if ( (offnode==0) || (comms_recv==0)  ) {
 
 	int permute_slice=0;
 	CopyPlane(point,dimension,x,sx,cbmask,permute_slice,wraparound);
@@ -984,11 +1028,14 @@ public:
   }
 
   template<class compressor>
-  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx)
+  int Gather(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor & compress,int &face_idx, int point)
   {
     typedef typename cobj::vector_type vector_type;
     typedef typename cobj::scalar_type scalar_type;
 
+    int comms_send   = this->_comms_send[point] ;
+    int comms_recv   = this->_comms_recv[point] ;
+
     assert(rhs.Grid()==_grid);
     //	  conformable(_grid,rhs.Grid());
 
@@ -1011,9 +1058,11 @@ public:
 
       int sx        = (x+sshift)%rd;
       int comm_proc = ((x+sshift)/rd)%pd;
-
+      
       if (comm_proc) {
 
+	
+	
 	int words = buffer_size;
 	if (cbmask != 0x3) words=words>>1;
 
@@ -1045,44 +1094,53 @@ public:
 	  recv_buf=this->u_recv_buf_p;
 	}
 
+
 	cobj *send_buf;
 	send_buf = this->u_send_buf_p; // Gather locally, must send
-
+	
 	////////////////////////////////////////////////////////
 	// Gather locally
 	////////////////////////////////////////////////////////
-	gathertime-=usecond();
 	assert(send_buf!=NULL);
-	Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so); face_idx++;
-	gathertime+=usecond();
+	if ( comms_send ) 
+	  Gather_plane_simple_table(face_table[face_idx],rhs,send_buf,compress,u_comm_offset,so);
+	face_idx++;
 
-	///////////////////////////////////////////////////////////
-	// Build a list of things to do after we synchronise GPUs
-	// Start comms now???
-	///////////////////////////////////////////////////////////
-	AddPacket((void *)&send_buf[u_comm_offset],
-		  (void *)&recv_buf[u_comm_offset],
-		  xmit_to_rank,
-		  recv_from_rank,
-		  bytes);
+	int duplicate = CheckForDuplicate(dimension,sx,comm_proc,(void *)&recv_buf[u_comm_offset],0,bytes,cbmask);
+	if ( (!duplicate) ) { // Force comms for now
 
-	if ( compress.DecompressionStep() ) {
+	  ///////////////////////////////////////////////////////////
+	  // Build a list of things to do after we synchronise GPUs
+	  // Start comms now???
+	  ///////////////////////////////////////////////////////////
+	  AddPacket((void *)&send_buf[u_comm_offset],
+		    (void *)&recv_buf[u_comm_offset],
+		    xmit_to_rank, comms_send,
+		    recv_from_rank, comms_recv,
+		    bytes);
+	}
+	
+	if ( compress.DecompressionStep()  ) {
 	  AddDecompress(&this->u_recv_buf_p[u_comm_offset],
 			&recv_buf[u_comm_offset],
 			words,Decompressions);
 	}
 	u_comm_offset+=words;
-      }
+	}
     }
     return 0;
   }
 
   template<class compressor>
-  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx)
+  int  GatherSimd(const Lattice<vobj> &rhs,int dimension,int shift,int cbmask,compressor &compress,int & face_idx,int point)
   {
     const int Nsimd = _grid->Nsimd();
 
     const int maxl =2;// max layout in a direction
+
+    int comms_send   = this->_comms_send[point] ;
+    int comms_recv   = this->_comms_recv[point] ;
+
     int fd = _grid->_fdimensions[dimension];
     int rd = _grid->_rdimensions[dimension];
     int ld = _grid->_ldimensions[dimension];
@@ -1147,12 +1205,11 @@ public:
 				  &face_table[face_idx][0],
 				  face_table[face_idx].size()*sizeof(face_table_host[0]));
 	}
-	gathermtime-=usecond();
 
+	//	if ( comms_send )
 	Gather_plane_exchange_table(face_table[face_idx],rhs,spointers,dimension,sx,cbmask,compress,permute_type);
 	face_idx++;
 
-	gathermtime+=usecond();
 	//spointers[0] -- low
 	//spointers[1] -- high
 
@@ -1181,8 +1238,13 @@ public:
 
 	    rpointers[i] = rp;
 
-	    AddPacket((void *)sp,(void *)rp,xmit_to_rank,recv_from_rank,bytes);
-
+	    int duplicate = CheckForDuplicate(dimension,sx,nbr_proc,(void *)rp,i,bytes,cbmask);
+	    if ( !duplicate  ) { 
+	      AddPacket((void *)sp,(void *)rp,
+			xmit_to_rank,comms_send,
+			recv_from_rank,comms_recv,
+			bytes);
+	    }
 
 	  } else {
 

Grid/tensors/Tensor_exp.h

@@ -55,7 +55,7 @@ template<class vtype, int N> accelerator_inline iVector<vtype, N> Exponentiate(c
 
 
 // Specialisation: Cayley-Hamilton exponential for SU(3)
-#ifndef GRID_CUDA
+#ifndef GRID_ACCELERATED
 template<class vtype, typename std::enable_if< GridTypeMapper<vtype>::TensorLevel == 0>::type * =nullptr> 
 accelerator_inline iMatrix<vtype,3> Exponentiate(const iMatrix<vtype,3> &arg, RealD alpha  , Integer Nexp = DEFAULT_MAT_EXP )
 {

Grid/tensors/Tensor_extract_merge.h

@@ -208,46 +208,5 @@ 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

@@ -206,8 +206,7 @@ inline void *acceleratorAllocShared(size_t bytes)
   auto err = cudaMallocManaged((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMallocManaged failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+    printf(" cudaMallocManaged failed for %d %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };
@@ -217,47 +216,15 @@ inline void *acceleratorAllocDevice(size_t bytes)
   auto err = cudaMalloc((void **)&ptr,bytes);
   if( err != cudaSuccess ) {
     ptr = (void *) NULL;
-    printf(" cudaMalloc failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
+    printf(" cudaMalloc failed for %d %s \n",bytes,cudaGetErrorString(err));
   }
   return ptr;
 };
-inline void acceleratorFreeShared(void *ptr){
-  auto err = cudaFree(ptr);
-  if( err != cudaSuccess ) {
-    printf(" cudaFree(Shared) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-};
-inline void acceleratorFreeDevice(void *ptr){
-  auto err = cudaFree(ptr);
-  if( err != cudaSuccess ) {
-    printf(" cudaFree(Device) failed %s \n",cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-};
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  {
-  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemcpy(host->device) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){
-  auto err = cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemcpy(device->host) failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-inline void acceleratorMemSet(void *base,int value,size_t bytes) {
-  auto err = cudaMemset(base,value,bytes);
-  if( err != cudaSuccess ) {
-    printf(" cudaMemSet failed for %lu %s \n",bytes,cudaGetErrorString(err)); fflush(stdout);
-    if (acceleratorAbortOnGpuError) assert(err==cudaSuccess);
-  }
-}
-
+inline void acceleratorFreeShared(void *ptr){ cudaFree(ptr);};
+inline void acceleratorFreeDevice(void *ptr){ cudaFree(ptr);};
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { cudaMemcpy(to,from,bytes, cudaMemcpyHostToDevice);}
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ cudaMemcpy(to,from,bytes, cudaMemcpyDeviceToHost);}
+inline void acceleratorMemSet(void *base,int value,size_t bytes) { cudaMemset(base,value,bytes);}
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
   cudaMemcpyAsync(to,from,bytes, cudaMemcpyDeviceToDevice,copyStream);
@@ -474,7 +441,7 @@ inline void acceleratorMemSet(void *base,int value,size_t bytes) { hipMemset(bas
 
 inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes) // Asynch
 {
-  hipMemcpyAsync(to,from,bytes, hipMemcpyDeviceToDevice,copyStream);
+  hipMemcpy(to,from,bytes, hipMemcpyDeviceToDevice);
 }
 inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream); };
 
@@ -494,6 +461,8 @@ inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream);
   accelerator_for2dNB(iter1, num1, iter2, num2, nsimd, { __VA_ARGS__ } ); \
   accelerator_barrier(dummy);
 
+#define GRID_ACCELERATED
+
 #endif
 
 //////////////////////////////////////////////
@@ -514,9 +483,10 @@ inline void acceleratorCopySynchronise(void) { hipStreamSynchronize(copyStream);
 #define accelerator_for2d(iter1, num1, iter2, num2, nsimd, ... ) thread_for2d(iter1,num1,iter2,num2,{ __VA_ARGS__ });
 
 accelerator_inline int acceleratorSIMTlane(int Nsimd) { return 0; } // CUDA specific
-inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { memcpy(to,from,bytes);}
-inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ memcpy(to,from,bytes);}
-inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { memcpy(to,from,bytes);}
+
+inline void acceleratorCopyToDevice(void *from,void *to,size_t bytes)  { thread_bcopy(from,to,bytes); }
+inline void acceleratorCopyFromDevice(void *from,void *to,size_t bytes){ thread_bcopy(from,to,bytes);}
+inline void acceleratorCopyDeviceToDeviceAsynch(void *from,void *to,size_t bytes)  { thread_bcopy(from,to,bytes);}
 inline void acceleratorCopySynchronise(void) {};
 
 inline int  acceleratorIsCommunicable(void *ptr){ return 1; }

Grid/threads/Threads.h

@@ -72,3 +72,20 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define thread_region                                       DO_PRAGMA(omp parallel)
 #define thread_critical                                     DO_PRAGMA(omp critical)
 
+#ifdef GRID_OMP
+inline void thread_bcopy(void *from, void *to,size_t bytes)
+{
+  uint64_t *ufrom = (uint64_t *)from;
+  uint64_t *uto   = (uint64_t *)to;
+  assert(bytes%8==0);
+  uint64_t words=bytes/8;
+  thread_for(w,words,{
+      uto[w] = ufrom[w];
+  });
+}
+#else
+inline void thread_bcopy(void *from, void *to,size_t bytes)
+{
+  bcopy(from,to,bytes);
+}
+#endif

HMC/DWF2p1fIwasakiGparity.cc

@@ -1,473 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,473 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,765 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,918 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,873 +0,0 @@
-/*************************************************************************************
-
-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

HMC/Mobius2p1f_DD_RHMC.cc

@@ -0,0 +1,265 @@
+/*************************************************************************************
+
+Grid physics library, www.github.com/paboyle/Grid
+
+Source file: ./tests/Test_hmc_EODWFRatio.cc
+
+Copyright (C) 2015-2016
+
+Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
+Author: Guido Cossu <guido.cossu@ed.ac.uk>
+
+This program is free software; you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation; either version 2 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License along
+with this program; if not, write to the Free Software Foundation, Inc.,
+51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+See the full license in the file "LICENSE" in the top level distribution
+directory
+*************************************************************************************/
+/*  END LEGAL */
+#include <Grid/Grid.h>
+
+int main(int argc, char **argv) {
+  using namespace Grid;
+
+  Grid_init(&argc, &argv);
+  int threads = GridThread::GetThreads();
+
+   // Typedefs to simplify notation
+  typedef WilsonImplR FermionImplPolicy;
+  typedef MobiusFermionR FermionAction;
+  typedef typename FermionAction::FermionField FermionField;
+
+  typedef Grid::XmlReader       Serialiser;
+
+  //::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
+  IntegratorParameters MD;
+  //  typedef GenericHMCRunner<LeapFrog> HMCWrapper;
+  //  MD.name    = std::string("Leap Frog");
+  //  typedef GenericHMCRunner<ForceGradient> HMCWrapper;
+  //  MD.name    = std::string("Force Gradient");
+  typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
+  MD.name    = std::string("MinimumNorm2");
+  MD.MDsteps =  4;
+  MD.trajL   = 1.0;
+
+  HMCparameters HMCparams;
+  HMCparams.StartTrajectory  = 17;
+  HMCparams.Trajectories     = 200;
+  HMCparams.NoMetropolisUntil=  0;
+  // "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
+  //  HMCparams.StartingType     =std::string("ColdStart");
+  HMCparams.StartingType     =std::string("CheckpointStart");
+  HMCparams.MD = MD;
+  HMCWrapper TheHMC(HMCparams);
+
+  // Grid from the command line arguments --grid and --mpi
+  TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
+
+  CheckpointerParameters CPparams;
+  CPparams.config_prefix = "ckpoint_DDHMC_lat";
+  CPparams.rng_prefix    = "ckpoint_DDHMC_rng";
+  CPparams.saveInterval  = 1;
+  CPparams.format        = "IEEE64BIG";
+  TheHMC.Resources.LoadNerscCheckpointer(CPparams);
+
+  RNGModuleParameters RNGpar;
+  RNGpar.serial_seeds = "1 2 3 4 5";
+  RNGpar.parallel_seeds = "6 7 8 9 10";
+  TheHMC.Resources.SetRNGSeeds(RNGpar);
+
+  // Construct observables
+  // here there is too much indirection
+  typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
+  TheHMC.Resources.AddObservable<PlaqObs>();
+  //////////////////////////////////////////////
+
+  const int Ls      = 16;
+  RealD M5  = 1.8;
+  RealD b   = 1.0;
+  RealD c   = 0.0;
+  Real beta         = 2.13;
+  Real light_mass   = 0.01;
+  Real strange_mass = 0.04;
+  Real pv_mass      = 1.0;
+  std::vector<Real> hasenbusch({ light_mass, 0.04, 0.25, 0.4, 0.7 , pv_mass });
+
+  // FIXME:
+  // Same in MC and MD
+  // Need to mix precision too
+  OneFlavourRationalParams SFRp;
+  SFRp.lo       = 4.0e-3;
+  SFRp.hi       = 30.0;
+  SFRp.MaxIter  = 10000;
+  SFRp.tolerance= 1.0e-8;
+  SFRp.mdtolerance= 1.0e-6;
+  SFRp.degree   = 16;
+  SFRp.precision= 50;
+  SFRp.BoundsCheckFreq=5;
+
+  OneFlavourRationalParams OFRp;
+  OFRp.lo       = 1.0e-4;
+  OFRp.hi       = 30.0;
+  OFRp.MaxIter  = 10000;
+  OFRp.tolerance= 1.0e-8;
+  OFRp.mdtolerance= 1.0e-6;
+  OFRp.degree   = 16;
+  OFRp.precision= 50;
+  OFRp.BoundsCheckFreq=5;
+
+  auto GridPtr   = TheHMC.Resources.GetCartesian();
+  auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
+
+  ////////////////////////////////////////////////////////////////
+  // Domain decomposed
+  ////////////////////////////////////////////////////////////////
+  Coordinate latt4  = GridPtr->GlobalDimensions();
+  Coordinate mpi    = GridPtr->ProcessorGrid();
+  Coordinate shm;
+
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+  
+  Coordinate CommDim(Nd);
+  for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
+
+  Coordinate Dirichlet(Nd+1,0);
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+
+  Coordinate Block4(Nd);
+  Block4[0] = Dirichlet[1];
+  Block4[1] = Dirichlet[2];
+  Block4[2] = Dirichlet[3];
+  Block4[3] = Dirichlet[4];
+  int Width=3;
+  TheHMC.Resources.SetMomentumFilter(new DDHMCFilter<WilsonImplR::Field>(Block4,Width));
+
+  //////////////////////////
+  // Fermion Grid
+  //////////////////////////
+  auto FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
+  auto FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
+
+  IwasakiGaugeActionR GaugeAction(beta);
+
+  // temporarily need a gauge field
+  LatticeGaugeField U(GridPtr);
+
+  // These lines are unecessary if BC are all periodic
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+
+  double StoppingCondition = 1e-8;
+  double MaxCGIterations = 30000;
+  ConjugateGradient<FermionField>  CG(StoppingCondition,MaxCGIterations);
+
+  ////////////////////////////////////
+  // Collect actions
+  ////////////////////////////////////
+  ActionLevel<HMCWrapper::Field> Level1(1);
+  ActionLevel<HMCWrapper::Field> Level2(4);
+  ActionLevel<HMCWrapper::Field> Level3(6);
+
+  ////////////////////////////////////
+  // Strange action
+  ////////////////////////////////////
+  FermionAction StrangeOp (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOp(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+
+  FermionAction StrangeOpDir (U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,strange_mass,M5,b,c, Params);
+  FermionAction StrangePauliVillarsOpDir(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,pv_mass,  M5,b,c, Params);
+  StrangeOpDir.DirichletBlock(Dirichlet);  
+  StrangePauliVillarsOpDir.DirichletBlock(Dirichlet);  
+  
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionBdy(StrangeOpDir,StrangeOp,SFRp);
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionLocal(StrangePauliVillarsOpDir,StrangeOpDir,SFRp);
+  OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> StrangePseudoFermionPVBdy(StrangePauliVillarsOp,StrangePauliVillarsOpDir,SFRp);
+  Level1.push_back(&StrangePseudoFermionBdy);
+  Level2.push_back(&StrangePseudoFermionLocal);
+  Level1.push_back(&StrangePseudoFermionPVBdy);
+
+  ////////////////////////////////////
+  // up down action
+  ////////////////////////////////////
+  std::vector<Real> light_den;
+  std::vector<Real> light_num;
+  std::vector<int> dirichlet_den;
+  std::vector<int> dirichlet_num;
+
+  int n_hasenbusch = hasenbusch.size();
+  light_den.push_back(light_mass);  dirichlet_den.push_back(0);
+  for(int h=0;h<n_hasenbusch;h++){
+    light_den.push_back(hasenbusch[h]); dirichlet_den.push_back(1);
+  }
+
+  for(int h=0;h<n_hasenbusch;h++){
+    light_num.push_back(hasenbusch[h]); dirichlet_num.push_back(1);
+  }
+  light_num.push_back(pv_mass);  dirichlet_num.push_back(0);
+
+  std::vector<FermionAction *> Numerators;
+  std::vector<FermionAction *> Denominators;
+  std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
+  std::vector<OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy> *> Bdys;
+  
+  for(int h=0;h<n_hasenbusch+1;h++){
+    std::cout << GridLogMessage
+	      << " 2f quotient Action ";
+    std::cout << "det D("<<light_den[h]<<")";
+    if ( dirichlet_den[h] ) std::cout << "^dirichlet    ";
+    std::cout << "/ det D("<<light_num[h]<<")";
+    if ( dirichlet_num[h] ) std::cout << "^dirichlet    ";
+    std::cout << std::endl;
+    
+    Numerators.push_back  (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
+    Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
+    if(h!=0) {
+      Quotients.push_back   (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
+    } else {
+      Bdys.push_back( new OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+      Bdys.push_back( new OneFlavourEvenOddRatioRationalPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],OFRp));
+    }
+    if ( dirichlet_den[h]==1) Denominators[h]->DirichletBlock(Dirichlet);
+    if ( dirichlet_num[h]==1) Numerators[h]->DirichletBlock(Dirichlet);
+  }
+
+  int nquo=Quotients.size();
+  Level1.push_back(Bdys[0]);
+  Level1.push_back(Bdys[1]);
+  for(int h=0;h<nquo-1;h++){
+    Level2.push_back(Quotients[h]);
+  }
+  Level1.push_back(Quotients[nquo-1]); // PV dirichlet fix on coarse timestep
+
+  /////////////////////////////////////////////////////////////
+  // 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;
+
+  /////////////////////////////////////////////////////////////
+
+  std::cout << GridLogMessage << " Running the HMC "<< std::endl;
+  TheHMC.ReadCommandLine(argc,argv);  // params on CML or from param file
+  TheHMC.Run();  // no smearing
+
+  Grid_finalize();
+} // main
+
+
+

benchmarks/Benchmark_comms.cc

@@ -217,9 +217,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu);
 	
 	    comm_proc = mpi_layout[mu]-1;
@@ -228,9 +228,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu+4][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu+4][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu+4);
 	  
 	  }
@@ -309,9 +309,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu);
 	    Grid.StencilSendToRecvFromComplete(requests,mu);
 	    requests.resize(0);
@@ -322,9 +322,9 @@ int main (int argc, char ** argv)
 	    dbytes+=
 	      Grid.StencilSendToRecvFromBegin(requests,
 					      (void *)&xbuf[mu+4][0],
-					      xmit_to_rank,
+					      xmit_to_rank,1,
 					      (void *)&rbuf[mu+4][0],
-					      recv_from_rank,
+					      recv_from_rank,1,
 					      bytes,mu+4);
 	    Grid.StencilSendToRecvFromComplete(requests,mu+4);
 	    requests.resize(0);
@@ -411,8 +411,8 @@ int main (int argc, char ** argv)
 	      Grid.ShiftedRanks(mu,comm_proc,xmit_to_rank,recv_from_rank);
 	    }
             int tid = omp_get_thread_num();
-	    tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,
-					       (void *)&rbuf[dir][0], recv_from_rank, bytes,tid);
+	    tbytes= Grid.StencilSendToRecvFrom((void *)&xbuf[dir][0], xmit_to_rank,1,
+					       (void *)&rbuf[dir][0], recv_from_rank,1, bytes,tid);
 
 	    thread_critical { dbytes+=tbytes; }
 	  }

benchmarks/Benchmark_dwf_fp32.cc

@@ -32,18 +32,18 @@
 using namespace std;
 using namespace Grid;
 
-template<class d>
-struct scal {
-  d internal;
+////////////////////////
+/// Move to domains ////
+////////////////////////
+
+Gamma::Algebra Gmu [] = {
+			 Gamma::Algebra::GammaX,
+			 Gamma::Algebra::GammaY,
+			 Gamma::Algebra::GammaZ,
+			 Gamma::Algebra::GammaT
 };
 
-  Gamma::Algebra Gmu [] = {
-    Gamma::Algebra::GammaX,
-    Gamma::Algebra::GammaY,
-    Gamma::Algebra::GammaZ,
-    Gamma::Algebra::GammaT
-  };
-
+void Benchmark(int Ls, Coordinate Dirichlet);
 
 int main (int argc, char ** argv)
 {
@@ -52,24 +52,82 @@ int main (int argc, char ** argv)
 
   int threads = GridThread::GetThreads();
 
-  Coordinate latt4 = GridDefaultLatt();
   int Ls=16;
-  for(int i=0;i<argc;i++)
+  for(int i=0;i<argc;i++) {
     if(std::string(argv[i]) == "-Ls"){
       std::stringstream ss(argv[i+1]); ss >> Ls;
     }
+  }
 
+  //////////////////
+  // With comms
+  //////////////////
+  Coordinate Dirichlet(Nd+1,0);
+
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing with full communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  
+  Benchmark(Ls,Dirichlet);
+
+  //////////////////
+  // Domain decomposed
+  //////////////////
+  Coordinate latt4  = GridDefaultLatt();
+  Coordinate mpi    = GridDefaultMpi();
+  Coordinate CommDim(Nd);
+  Coordinate shm;
+  GlobalSharedMemory::GetShmDims(mpi,shm);
+
+
+  //////////////////////
+  // Node level
+  //////////////////////
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing without internode communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+
+  for(int d=0;d<Nd;d++) CommDim[d]= (mpi[d]/shm[d])>1 ? 1 : 0;
+  Dirichlet[0] = 0;
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0] * shm[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1] * shm[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2] * shm[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3] * shm[3];
+
+  Benchmark(Ls,Dirichlet);
+
+  std::cout << "\n\n\n\n\n\n" <<std::endl;
+
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+  std::cout << GridLogMessage<< " Testing without intranode communication " <<std::endl;
+  std::cout << GridLogMessage<< "++++++++++++++++++++++++++++++++++++++++++++++++" <<std::endl;
+
+  for(int d=0;d<Nd;d++) CommDim[d]= mpi[d]>1 ? 1 : 0;
+  Dirichlet[0] = 0;
+  Dirichlet[1] = CommDim[0]*latt4[0]/mpi[0];
+  Dirichlet[2] = CommDim[1]*latt4[1]/mpi[1];
+  Dirichlet[3] = CommDim[2]*latt4[2]/mpi[2];
+  Dirichlet[4] = CommDim[3]*latt4[3]/mpi[3];
+  
+  Benchmark(Ls,Dirichlet);
+
+  Grid_finalize();
+  exit(0);
+}
+void Benchmark(int Ls, Coordinate Dirichlet)
+{
+  Coordinate latt4 = GridDefaultLatt();
   GridLogLayout();
 
   long unsigned int single_site_flops = 8*Nc*(7+16*Nc);
 
-
   GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplexF::Nsimd()),GridDefaultMpi());
   GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
 
-  std::cout << GridLogMessage << "Making s innermost grids"<<std::endl;
   GridCartesian         * sUGrid   = SpaceTimeGrid::makeFourDimDWFGrid(GridDefaultLatt(),GridDefaultMpi());
   GridRedBlackCartesian * sUrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(sUGrid);
   GridCartesian         * sFGrid   = SpaceTimeGrid::makeFiveDimDWFGrid(Ls,UGrid);
@@ -80,9 +138,9 @@ int main (int argc, char ** argv)
 
   std::cout << GridLogMessage << "Initialising 4d RNG" << std::endl;
   GridParallelRNG          RNG4(UGrid);  RNG4.SeedUniqueString(std::string("The 4D RNG"));
+
   std::cout << GridLogMessage << "Initialising 5d RNG" << std::endl;
   GridParallelRNG          RNG5(FGrid);  RNG5.SeedUniqueString(std::string("The 5D RNG"));
-  std::cout << GridLogMessage << "Initialised RNGs" << std::endl;
 
   LatticeFermionF src   (FGrid); random(RNG5,src);
 #if 0
@@ -100,7 +158,6 @@ int main (int argc, char ** argv)
   src = src*N2;
 #endif
 
-
   LatticeFermionF result(FGrid); result=Zero();
   LatticeFermionF    ref(FGrid);    ref=Zero();
   LatticeFermionF    tmp(FGrid);
@@ -108,29 +165,31 @@ int main (int argc, char ** argv)
 
   std::cout << GridLogMessage << "Drawing gauge field" << std::endl;
   LatticeGaugeFieldF Umu(UGrid);
+  LatticeGaugeFieldF UmuCopy(UGrid);
   SU<Nc>::HotConfiguration(RNG4,Umu);
+  UmuCopy=Umu;
   std::cout << GridLogMessage << "Random gauge initialised " << std::endl;
-#if 0
-  Umu=1.0;
-  for(int mu=0;mu<Nd;mu++){
-    LatticeColourMatrixF ttmp(UGrid);
-    ttmp = PeekIndex<LorentzIndex>(Umu,mu);
-    //    if (mu !=2 ) ttmp = 0;
-    //    ttmp = ttmp* pow(10.0,mu);
-    PokeIndex<LorentzIndex>(Umu,ttmp,mu);
-  }
-  std::cout << GridLogMessage << "Forced to diagonal " << std::endl;
-#endif
 
+  ////////////////////////////////////
+  // Apply BCs
+  ////////////////////////////////////
+  Coordinate Block(4);
+  for(int d=0;d<4;d++)  Block[d]= Dirichlet[d+1];
+
+  std::cout << GridLogMessage << "Applying BCs for Dirichlet Block5 " << Dirichlet << std::endl;
+  std::cout << GridLogMessage << "Applying BCs for Dirichlet Block4 " << Block << std::endl;
+
+  DirichletFilter<LatticeGaugeFieldF> Filter(Block);
+  Filter.applyFilter(Umu);
+  
   ////////////////////////////////////
   // Naive wilson implementation
   ////////////////////////////////////
-  // replicate across fifth dimension
-  //  LatticeGaugeFieldF Umu5d(FGrid);
   std::vector<LatticeColourMatrixF> U(4,UGrid);
   for(int mu=0;mu<Nd;mu++){
     U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
   }
+
   std::cout << GridLogMessage << "Setting up Cshift based reference " << std::endl;
 
   if (1)
@@ -191,11 +250,13 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "*****************************************************************" <<std::endl;
 
   DomainWallFermionF Dw(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
+  Dw.DirichletBlock(Dirichlet);
+  Dw.ImportGauge(Umu);
+  
   int ncall =300;
 
   if (1) {
     FGrid->Barrier();
-    Dw.ZeroCounters();
     Dw.Dhop(src,result,0);
     std::cout<<GridLogMessage<<"Called warmup"<<std::endl;
     double t0=usecond();
@@ -220,29 +281,20 @@ int main (int argc, char ** argv)
     double data_mem = (volume * (2*Nd+1)*Nd*Nc + (volume/Ls) *2*Nd*Nc*Nc) * simdwidth / nsimd * ncall / (1024.*1024.*1024.);
 
     std::cout<<GridLogMessage << "Called Dw "<<ncall<<" times in "<<t1-t0<<" us"<<std::endl;
-    //    std::cout<<GridLogMessage << "norm result "<< norm2(result)<<std::endl;
-    //    std::cout<<GridLogMessage << "norm ref    "<< norm2(ref)<<std::endl;
     std::cout<<GridLogMessage << "mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "mflop/s per rank =  "<< flops/(t1-t0)/NP<<std::endl;
     std::cout<<GridLogMessage << "mflop/s per node =  "<< flops/(t1-t0)/NN<<std::endl;
-    std::cout<<GridLogMessage << "RF  GiB/s (base 2) =   "<< 1000000. * data_rf/((t1-t0))<<std::endl;
-    std::cout<<GridLogMessage << "mem GiB/s (base 2) =   "<< 1000000. * data_mem/((t1-t0))<<std::endl;
+    //    std::cout<<GridLogMessage << "RF  GiB/s (base 2) =   "<< 1000000. * data_rf/((t1-t0))<<std::endl;
+    //    std::cout<<GridLogMessage << "mem GiB/s (base 2) =   "<< 1000000. * data_mem/((t1-t0))<<std::endl;
     err = ref-result;
     std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-    //exit(0);
 
     if(( norm2(err)>1.0e-4) ) {
-      /*
-      std::cout << "RESULT\n " << result<<std::endl;
-      std::cout << "REF   \n " << ref   <<std::endl;
-      std::cout << "ERR   \n " << err   <<std::endl;
-      */
       std::cout<<GridLogMessage << "WRONG RESULT" << std::endl;
       FGrid->Barrier();
       exit(-1);
     }
     assert (norm2(err)< 1.0e-4 );
-    Dw.Report();
   }
 
   if (1)
@@ -286,21 +338,20 @@ int main (int argc, char ** argv)
     }
     ref = -0.5*ref;
   }
-  //  dump=1;
-  Dw.Dhop(src,result,1);
+
+  Dw.Dhop(src,result,DaggerYes);
+
+  std::cout << GridLogMessage << "----------------------------------------------------------------" << std::endl;
   std::cout << GridLogMessage << "Compare to naive wilson implementation Dag to verify correctness" << std::endl;
+  std::cout << GridLogMessage << "----------------------------------------------------------------" << std::endl;
+
   std::cout<<GridLogMessage << "Called DwDag"<<std::endl;
   std::cout<<GridLogMessage << "norm dag result "<< norm2(result)<<std::endl;
   std::cout<<GridLogMessage << "norm dag ref    "<< norm2(ref)<<std::endl;
   err = ref-result;
   std::cout<<GridLogMessage << "norm dag diff   "<< norm2(err)<<std::endl;
-  if((norm2(err)>1.0e-4)){
-/*
-	std::cout<< "DAG RESULT\n "  <<ref     << std::endl;
-	std::cout<< "DAG sRESULT\n " <<result  << std::endl;
-	std::cout<< "DAG ERR   \n "  << err    <<std::endl;
-*/
-  }
+  assert((norm2(err)<1.0e-4));
+  
   LatticeFermionF src_e (FrbGrid);
   LatticeFermionF src_o (FrbGrid);
   LatticeFermionF r_e   (FrbGrid);
@@ -330,7 +381,6 @@ int main (int argc, char ** argv)
   if ( WilsonKernelsStatic::Opt == WilsonKernelsStatic::OptInlineAsm ) std::cout << GridLogMessage<< "* Using Asm Nc=3   WilsonKernels" <<std::endl;
   std::cout << GridLogMessage<< "*********************************************************" <<std::endl;
   {
-    Dw.ZeroCounters();
     FGrid->Barrier();
     Dw.DhopEO(src_o,r_e,DaggerNo);
     double t0=usecond();
@@ -352,7 +402,6 @@ int main (int argc, char ** argv)
     std::cout<<GridLogMessage << "Deo mflop/s =   "<< flops/(t1-t0)<<std::endl;
     std::cout<<GridLogMessage << "Deo mflop/s per rank   "<< flops/(t1-t0)/NP<<std::endl;
     std::cout<<GridLogMessage << "Deo mflop/s per node   "<< flops/(t1-t0)/NN<<std::endl;
-    Dw.Report();
   }
   Dw.DhopEO(src_o,r_e,DaggerNo);
   Dw.DhopOE(src_e,r_o,DaggerNo);
@@ -367,13 +416,7 @@ int main (int argc, char ** argv)
 
   err = r_eo-result;
   std::cout<<GridLogMessage << "norm diff   "<< norm2(err)<<std::endl;
-  if((norm2(err)>1.0e-4)){
-    /*
-	std::cout<< "Deo RESULT\n " <<r_eo << std::endl;
-	std::cout<< "Deo REF\n " <<result  << std::endl;
-	std::cout<< "Deo ERR   \n " << err <<std::endl;
-    */
-  }
+  assert(norm2(err)<1.0e-4);
 
   pickCheckerboard(Even,src_e,err);
   pickCheckerboard(Odd,src_o,err);
@@ -382,6 +425,4 @@ int main (int argc, char ** argv)
 
   assert(norm2(src_e)<1.0e-4);
   assert(norm2(src_o)<1.0e-4);
-  Grid_finalize();
-  exit(0);
 }

scripts/hmc.sh

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

systems/Crusher/comms.slurm

@@ -0,0 +1,26 @@
+#!/bin/bash
+# Begin LSF Directives
+#SBATCH -A LGT104
+#SBATCH -t 01:00:00
+##SBATCH -U openmpThu
+#SBATCH -p ecp
+#SBATCH -J comms
+#SBATCH -o comms.%J
+#SBATCH -e comms.%J
+#SBATCH -N 1
+#SBATCH -n 2
+
+DIR=.
+module list
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPICH_GPU_SUPPORT_ENABLED=1
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
+#export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
+export OMP_NUM_THREADS=8
+
+AT=8
+echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
+PARAMS=" --accelerator-threads ${AT} --grid 64.64.32.32 --mpi 2.1.1.1 "
+srun -n2 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./benchmarks/Benchmark_comms_host_device $PARAMS
+

systems/Crusher/config-command

@@ -5,6 +5,8 @@
 --enable-gen-simd-width=64 \
 --enable-simd=GPU \
 --disable-fermion-reps \
+--with-gmp=$OLCF_GMP_ROOT \
+--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
 --disable-gparity \
 CXX=hipcc MPICXX=mpicxx \
 CXXFLAGS="-fPIC -I/opt/rocm-4.5.0/include/ -std=c++14 -I${MPICH_DIR}/include " \

systems/Crusher/dwf.slurm

@@ -3,28 +3,28 @@
 #SBATCH -A LGT104
 #SBATCH -t 01:00:00
 ##SBATCH -U openmpThu
-##SBATCH -p ecp
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
 #SBATCH -e DWF.%J
 #SBATCH -N 1
-#SBATCH -n 1
-#SBATCH --exclusive  
+#SBATCH -n 8
+#SBATCH --exclusive
+#SBATCH --gpu-bind=map_gpu:0,1,2,3,7,6,5,4
 
 DIR=.
 module list
-#export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-#export MPICH_SMP_SINGLE_COPY_MODE=NONE
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
 #export MPICH_SMP_SINGLE_COPY_MODE=CMA
 export OMP_NUM_THREADS=1
 
-AT=8
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
 
-PARAMS=" --accelerator-threads ${AT} --grid 24.24.24.24 --shm-mpi 0 --mpi 1.1.1.1"
-
-srun --gpus-per-task 1 -n1 ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads 16 --grid 32.32.32.256 --mpi 1.1.1.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+srun --gpus-per-task 1 -n8  ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+
 
 

systems/Crusher/dwf8.slurm

@@ -6,22 +6,43 @@
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
 #SBATCH -e DWF.%J
-#SBATCH -N 1
-#SBATCH -n 8
+#SBATCH -N 8
+#SBATCH -n 64
 #SBATCH --exclusive
+#SBATCH --gpu-bind=map_gpu:0,1,2,3,7,6,5,4
 
 DIR=.
 module list
+export MPICH_OFI_NIC_POLICY=GPU
 export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-#export MPICH_SMP_SINGLE_COPY_MODE=NONE
+#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
 #export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=NONE
 export OMP_NUM_THREADS=1
 
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
-PARAMS=" --accelerator-threads 8 --grid 32.64.64.64 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
 
-srun --gpus-per-task 1 -n8 ./mpiwrapper.sh ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.256 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.256.8node
+
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 4.4.4.1 --comms-overlap --shm 2048 --shm-mpi 1"
+echo $PARAMS
+srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.32.8node
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 4.4.4.1 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_dwf_fp32 $PARAMS > dwf.64.64.64.32.8node.shm0
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 1"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_ITT $PARAMS > itt.8node
+
+PARAMS=" --accelerator-threads 16 --grid 64.64.64.32 --mpi 2.2.2.8 --comms-overlap --shm 2048 --shm-mpi 0"
+echo $PARAMS
+#srun --gpus-per-task 1 -N8 -n64  ./benchmarks/Benchmark_ITT $PARAMS > itt.8node_shm0
+
 
 

systems/Crusher/mpiwrapper.sh

@@ -1,10 +1,11 @@
 #!/bin/bash
 
 lrank=$SLURM_LOCALID
+lgpu=(0 1 2 3 7 6 5 4)
 
-export ROCR_VISIBLE_DEVICES=$SLURM_LOCALID
+export ROCR_VISIBLE_DEVICES=${lgpu[$lrank]}
 
-echo "`hostname` - $lrank device=$ROCR_VISIBLE_DEVICES binding=$BINDING"
+echo "`hostname` - $lrank device=$ROCR_VISIBLE_DEVICES "
 
 $*
 

systems/Crusher/sourceme.sh

@@ -3,3 +3,4 @@ module load rocm/4.5.0
 module load gmp
 module load cray-fftw
 module load craype-accel-amd-gfx90a
+export LD_LIBRARY_PATH=/opt/gcc/mpfr/3.1.4/lib:$LD_LIBRARY_PATH

systems/Spock/config-command

@@ -6,6 +6,8 @@
 --enable-simd=GPU \
 --disable-fermion-reps \
 --disable-gparity \
+--with-gmp=$OLCF_GMP_ROOT \
+--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
 CXX=hipcc MPICXX=mpicxx \
 CXXFLAGS="-fPIC -I/opt/rocm-4.3.0/include/ -std=c++14 -I${MPICH_DIR}/include " \
 --prefix=/ccs/home/chulwoo/Grid \

systems/Spock/dwf8.slurm

@@ -1,8 +1,7 @@
 #!/bin/bash
 # Begin LSF Directives
 #SBATCH -A LGT104
-#SBATCH -t 01:00:00
-##SBATCH -U openmpThu
+#SBATCH -t 3:00:00
 #SBATCH -p ecp
 #SBATCH -J DWF
 #SBATCH -o DWF.%J
@@ -14,13 +13,12 @@ DIR=.
 module list
 export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
 export MPICH_GPU_SUPPORT_ENABLED=1
-#export MPICH_SMP_SINGLE_COPY_MODE=XPMEM
-export MPICH_SMP_SINGLE_COPY_MODE=NONE
-#export MPICH_SMP_SINGLE_COPY_MODE=CMA
+export MPICH_SMP_SINGLE_COPY_MODE=CMA
+
 export OMP_NUM_THREADS=8
 
 AT=8
 echo MPICH_SMP_SINGLE_COPY_MODE $MPICH_SMP_SINGLE_COPY_MODE
-PARAMS=" --accelerator-threads ${AT} --grid 32.64.64.64 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
-srun -n8 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./benchmarks/Benchmark_dwf_fp32 $PARAMS
+PARAMS=" --accelerator-threads ${AT} --grid 16.16.16.48 --mpi 1.2.2.2 --comms-overlap --shm 2048 --shm-mpi 0"
+srun -N2 -n8 --label -c$OMP_NUM_THREADS --gpus-per-task=1 ./mpiwrapper.sh ./HMC/Mobius2p1f_DD_RHMC $PARAMS
 

systems/Spock/sourceme.sh

@@ -1,5 +1,9 @@
+module load emacs
 module load PrgEnv-gnu
-module load rocm/4.3.0
+module load rocm/4.5.0
 module load gmp
 module load cray-fftw
 module load craype-accel-amd-gfx908
+export MPIR_CVAR_GPU_EAGER_DEVICE_MEM=0
+export MPICH_GPU_SUPPORT_ENABLED=1
+export LD_LIBRARY_PATH=/opt/cray/pe/gcc/mpfr/3.1.4/lib/:$LD_LIBRARY_PATH

systems/Tursa/dwf.4node.perf

@@ -1,25 +1,25 @@
-tu-c0r0n00 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n00 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n00 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n06 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n09 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n09 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n03 - 1 device=1 binding=--interleave=2,3
-tu-c0r0n06 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n09 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n00 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 0 device=0 binding=--interleave=0,1
-tu-c0r0n03 - 2 device=2 binding=--interleave=4,5
-tu-c0r0n06 - 3 device=3 binding=--interleave=6,7
-tu-c0r0n03 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n00 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n00 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n00 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n00 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n06 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n06 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n06 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n06 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n03 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n03 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n03 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n03 - 3 device=3 binding=--interleave=6,7
+tu-c0r3n09 - 0 device=0 binding=--interleave=0,1
+tu-c0r3n09 - 1 device=1 binding=--interleave=2,3
+tu-c0r3n09 - 2 device=2 binding=--interleave=4,5
+tu-c0r3n09 - 3 device=3 binding=--interleave=6,7
 OPENMPI detected
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 OPENMPI detected
 AcceleratorCudaInit[0]: ========================
 AcceleratorCudaInit[0]: Device Number    : 0
@@ -33,11 +33,41 @@ AcceleratorCudaInit[0]:   pciBusID: 3
 AcceleratorCudaInit[0]:   pciDeviceID: 0 
 AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
-AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+OPENMPI detected
+AcceleratorCudaInit: using default device 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
+AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
 AcceleratorCudaInit[0]: ========================
 AcceleratorCudaInit[0]: Device Number    : 0
 AcceleratorCudaInit[0]: ========================
@@ -50,43 +80,25 @@ AcceleratorCudaInit[0]:   pciBusID: 3
 AcceleratorCudaInit[0]:   pciDeviceID: 0 
 AcceleratorCudaInit[0]: maxGridSize (2147483647,65535,65535)
 AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
+AcceleratorCudaInit: assume user either uses
+AcceleratorCudaInit: a) IBM jsrun, or 
 AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
+AcceleratorCudaInit: Configure options --enable-setdevice=no 
+local rank 1 device 0 bus id: 0000:44:00.0
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
+local rank 0 device 0 bus id: 0000:03:00.0
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
-OPENMPI detected
-AcceleratorCudaInit: using default device 
-AcceleratorCudaInit: assume user either uses a) IBM jsrun, or 
-AcceleratorCudaInit: b) invokes through a wrapping script to set CUDA_VISIBLE_DEVICES, UCX_NET_DEVICES, and numa binding 
-AcceleratorCudaInit: Configure options --enable-summit, --enable-select-gpu=no 
 AcceleratorCudaInit: ================================================
+local rank 0 device 0 bus id: 0000:03:00.0
+AcceleratorCudaInit: ================================================
+AcceleratorCudaInit: ================================================
+local rank 2 device 0 bus id: 0000:84:00.0
 SharedMemoryMpi:  World communicator of size 16
 SharedMemoryMpi:  Node  communicator of size 4
-0SharedMemoryMpi:  SharedMemoryMPI.cc acceleratorAllocDevice 2147483648bytes at 0x7fcd80000000 for comms buffers 
+0SharedMemoryMpi:  SharedMemoryMPI.cc acceleratorAllocDevice 2147483648bytes at 0x153960000000 for comms buffers 
 Setting up IPC
 
 __|__|__|__|__|__|__|__|__|__|__|__|__|__|__
@@ -116,7 +128,7 @@ This program is distributed in the hope that it will be useful,
 but WITHOUT ANY WARRANTY; without even the implied warranty of
 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 GNU General Public License for more details.
-Current Grid git commit hash=9d2238148c56e3fbadfa95dcabf2b83d4bde14cd: (HEAD -> develop) uncommited changes
+Current Grid git commit hash=da06d15f73184ceb15d66d4e7e702b02fed7b940: (HEAD -> feature/dirichlet, develop) uncommited changes
 
 Grid : Message : ================================================ 
 Grid : Message : MPI is initialised and logging filters activated 
@@ -124,122 +136,102 @@ Grid : Message : ================================================
 Grid : Message : Requested 2147483648 byte stencil comms buffers 
 Grid : Message : MemoryManager Cache 34004218675 bytes 
 Grid : Message : MemoryManager::Init() setting up
-Grid : Message : MemoryManager::Init() cache pool for recent allocations: SMALL 32 LARGE 8
+Grid : Message : MemoryManager::Init() cache pool for recent allocations: SMALL 8 LARGE 2
 Grid : Message : MemoryManager::Init() Non unified: Caching accelerator data in dedicated memory
 Grid : Message : MemoryManager::Init() Using cudaMalloc
-Grid : Message : 1.198523 s : Grid Layout
-Grid : Message : 1.198530 s : 	Global lattice size  : 64 64 64 64 
-Grid : Message : 1.198534 s : 	OpenMP threads       : 4
-Grid : Message : 1.198535 s : 	MPI tasks            : 2 2 2 2 
-Grid : Message : 1.397615 s : Making s innermost grids
-Grid : Message : 1.441828 s : Initialising 4d RNG
-Grid : Message : 1.547973 s : Intialising parallel RNG with unique string 'The 4D RNG'
-Grid : Message : 1.547998 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
-Grid : Message : 1.954777 s : Initialising 5d RNG
-Grid : Message : 3.633825 s : Intialising parallel RNG with unique string 'The 5D RNG'
-Grid : Message : 3.633869 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
-Grid : Message : 12.162710 s : Initialised RNGs
-Grid : Message : 15.882520 s : Drawing gauge field
-Grid : Message : 15.816362 s : Random gauge initialised 
-Grid : Message : 17.279671 s : Setting up Cshift based reference 
-Grid : Message : 26.331426 s : *****************************************************************
-Grid : Message : 26.331452 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
-Grid : Message : 26.331454 s : *****************************************************************
-Grid : Message : 26.331456 s : *****************************************************************
-Grid : Message : 26.331458 s : * Benchmarking DomainWallFermionR::Dhop                  
-Grid : Message : 26.331459 s : * Vectorising space-time by 8
-Grid : Message : 26.331463 s : * VComplexF size is 64 B
-Grid : Message : 26.331465 s : * SINGLE precision 
-Grid : Message : 26.331467 s : * Using Overlapped Comms/Compute
-Grid : Message : 26.331468 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 26.331469 s : *****************************************************************
-Grid : Message : 28.413717 s : Called warmup
-Grid : Message : 56.418423 s : Called Dw 3000 times in 2.80047e+07 us
-Grid : Message : 56.418476 s : mflop/s =   3.79581e+07
-Grid : Message : 56.418479 s : mflop/s per rank =  2.37238e+06
-Grid : Message : 56.418481 s : mflop/s per node =  9.48953e+06
-Grid : Message : 56.418483 s : RF  GiB/s (base 2) =   77130
-Grid : Message : 56.418485 s : mem GiB/s (base 2) =   48206.3
-Grid : Message : 56.422076 s : norm diff   1.03481e-13
-Grid : Message : 56.456894 s : #### Dhop calls report 
-Grid : Message : 56.456899 s : WilsonFermion5D Number of DhopEO Calls   : 6002
-Grid : Message : 56.456903 s : WilsonFermion5D TotalTime   /Calls        : 4710.93 us
-Grid : Message : 56.456905 s : WilsonFermion5D CommTime    /Calls        : 3196.15 us
-Grid : Message : 56.456908 s : WilsonFermion5D FaceTime    /Calls        : 494.392 us
-Grid : Message : 56.456910 s : WilsonFermion5D ComputeTime1/Calls        : 44.4107 us
-Grid : Message : 56.456912 s : WilsonFermion5D ComputeTime2/Calls        : 1037.75 us
-Grid : Message : 56.456921 s : Average mflops/s per call                : 3.55691e+09
-Grid : Message : 56.456925 s : Average mflops/s per call per rank       : 2.22307e+08
-Grid : Message : 56.456928 s : Average mflops/s per call per node       : 8.89228e+08
-Grid : Message : 56.456930 s : Average mflops/s per call (full)         : 3.82915e+07
-Grid : Message : 56.456933 s : Average mflops/s per call per rank (full): 2.39322e+06
-Grid : Message : 56.456952 s : Average mflops/s per call per node (full): 9.57287e+06
-Grid : Message : 56.456954 s : WilsonFermion5D Stencil
-Grid : Message : 56.457016 s :  Stencil calls 3001
-Grid : Message : 56.457022 s :  Stencil halogtime 0
-Grid : Message : 56.457024 s :  Stencil gathertime 55.9154
-Grid : Message : 56.457026 s :  Stencil gathermtime 20.1073
-Grid : Message : 56.457028 s :  Stencil mergetime 18.5585
-Grid : Message : 56.457030 s :  Stencil decompresstime 0.0639787
-Grid : Message : 56.457032 s :  Stencil comms_bytes 4.02653e+08
-Grid : Message : 56.457034 s :  Stencil commtime 6379.93
-Grid : Message : 56.457036 s :  Stencil 63.1124 GB/s per rank
-Grid : Message : 56.457038 s :  Stencil 252.45 GB/s per node
-Grid : Message : 56.457040 s : WilsonFermion5D StencilEven
-Grid : Message : 56.457048 s : WilsonFermion5D StencilOdd
-Grid : Message : 56.457062 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 56.457065 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 56.457066 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 79.259261 s : Compare to naive wilson implementation Dag to verify correctness
-Grid : Message : 79.259287 s : Called DwDag
-Grid : Message : 79.259288 s : norm dag result 12.0421
-Grid : Message : 79.271740 s : norm dag ref    12.0421
-Grid : Message : 79.287759 s : norm dag diff   7.63236e-14
-Grid : Message : 79.328100 s : Calling Deo and Doe and //assert Deo+Doe == Dunprec
-Grid : Message : 79.955951 s : src_e0.499997
-Grid : Message : 80.633620 s : src_o0.500003
-Grid : Message : 80.164163 s : *********************************************************
-Grid : Message : 80.164168 s : * Benchmarking DomainWallFermionF::DhopEO                
-Grid : Message : 80.164170 s : * Vectorising space-time by 8
-Grid : Message : 80.164172 s : * SINGLE precision 
-Grid : Message : 80.164174 s : * Using Overlapped Comms/Compute
-Grid : Message : 80.164177 s : * Using GENERIC Nc WilsonKernels
-Grid : Message : 80.164178 s : *********************************************************
-Grid : Message : 93.797635 s : Deo mflop/s =   3.93231e+07
-Grid : Message : 93.797670 s : Deo mflop/s per rank   2.45769e+06
-Grid : Message : 93.797672 s : Deo mflop/s per node   9.83077e+06
-Grid : Message : 93.797674 s : #### Dhop calls report 
-Grid : Message : 93.797675 s : WilsonFermion5D Number of DhopEO Calls   : 3001
-Grid : Message : 93.797677 s : WilsonFermion5D TotalTime   /Calls        : 4542.83 us
-Grid : Message : 93.797679 s : WilsonFermion5D CommTime    /Calls        : 2978.97 us
-Grid : Message : 93.797681 s : WilsonFermion5D FaceTime    /Calls        : 602.287 us
-Grid : Message : 93.797683 s : WilsonFermion5D ComputeTime1/Calls        : 67.1416 us
-Grid : Message : 93.797685 s : WilsonFermion5D ComputeTime2/Calls        : 1004.07 us
-Grid : Message : 93.797713 s : Average mflops/s per call                : 3.30731e+09
-Grid : Message : 93.797717 s : Average mflops/s per call per rank       : 2.06707e+08
-Grid : Message : 93.797719 s : Average mflops/s per call per node       : 8.26827e+08
-Grid : Message : 93.797721 s : Average mflops/s per call (full)         : 3.97084e+07
-Grid : Message : 93.797727 s : Average mflops/s per call per rank (full): 2.48178e+06
-Grid : Message : 93.797732 s : Average mflops/s per call per node (full): 9.92711e+06
-Grid : Message : 93.797735 s : WilsonFermion5D Stencil
-Grid : Message : 93.797746 s : WilsonFermion5D StencilEven
-Grid : Message : 93.797758 s : WilsonFermion5D StencilOdd
-Grid : Message : 93.797769 s :  Stencil calls 3001
-Grid : Message : 93.797773 s :  Stencil halogtime 0
-Grid : Message : 93.797776 s :  Stencil gathertime 56.7458
-Grid : Message : 93.797780 s :  Stencil gathermtime 22.6504
-Grid : Message : 93.797782 s :  Stencil mergetime 21.1913
-Grid : Message : 93.797786 s :  Stencil decompresstime 0.0556481
-Grid : Message : 93.797788 s :  Stencil comms_bytes 2.01327e+08
-Grid : Message : 93.797791 s :  Stencil commtime 2989.33
-Grid : Message : 93.797795 s :  Stencil 67.3484 GB/s per rank
-Grid : Message : 93.797798 s :  Stencil 269.394 GB/s per node
-Grid : Message : 93.797801 s : WilsonFermion5D Stencil     Reporti()
-Grid : Message : 93.797803 s : WilsonFermion5D StencilEven Reporti()
-Grid : Message : 93.797805 s : WilsonFermion5D StencilOdd  Reporti()
-Grid : Message : 93.873429 s : r_e6.02111
-Grid : Message : 93.879931 s : r_o6.02102
-Grid : Message : 93.885912 s : res12.0421
-Grid : Message : 94.876555 s : norm diff   0
-Grid : Message : 95.485643 s : norm diff even  0
-Grid : Message : 95.581236 s : norm diff odd   0
+Grid : Message : 1.875883 s : Grid Layout
+Grid : Message : 1.875893 s : 	Global lattice size  : 64 64 64 64 
+Grid : Message : 1.875897 s : 	OpenMP threads       : 4
+Grid : Message : 1.875898 s : 	MPI tasks            : 2 2 2 2 
+Grid : Message : 1.993571 s : Initialising 4d RNG
+Grid : Message : 2.881990 s : Intialising parallel RNG with unique string 'The 4D RNG'
+Grid : Message : 2.882370 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
+Grid : Message : 2.495044 s : Initialising 5d RNG
+Grid : Message : 4.120900 s : Intialising parallel RNG with unique string 'The 5D RNG'
+Grid : Message : 4.121350 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
+Grid : Message : 15.268010 s : Drawing gauge field
+Grid : Message : 16.234025 s : Random gauge initialised 
+Grid : Message : 16.234057 s : Applying BCs 
+Grid : Message : 16.365565 s : Setting up Cshift based reference 
+Grid : Message : 44.512418 s : *****************************************************************
+Grid : Message : 44.512448 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
+Grid : Message : 44.512450 s : *****************************************************************
+Grid : Message : 44.512451 s : *****************************************************************
+Grid : Message : 44.512452 s : * Benchmarking DomainWallFermionR::Dhop                  
+Grid : Message : 44.512453 s : * Vectorising space-time by 8
+Grid : Message : 44.512454 s : * VComplexF size is 64 B
+Grid : Message : 44.512456 s : * SINGLE precision 
+Grid : Message : 44.512459 s : * Using Overlapped Comms/Compute
+Grid : Message : 44.512460 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 44.512461 s : *****************************************************************
+Grid : Message : 46.389070 s : Called warmup
+Grid : Message : 49.211265 s : Called Dw 300 times in 2.82203e+06 us
+Grid : Message : 49.211295 s : mflop/s =   3.76681e+07
+Grid : Message : 49.211297 s : mflop/s per rank =  2.35425e+06
+Grid : Message : 49.211299 s : mflop/s per node =  9.41702e+06
+Grid : Message : 49.211301 s : RF  GiB/s (base 2) =   76540.6
+Grid : Message : 49.211308 s : mem GiB/s (base 2) =   47837.9
+Grid : Message : 49.214868 s : norm diff   1.06409e-13
+Grid : Message : 92.647781 s : Compare to naive wilson implementation Dag to verify correctness
+Grid : Message : 92.647816 s : Called DwDag
+Grid : Message : 92.647817 s : norm dag result 12.0421
+Grid : Message : 92.801806 s : norm dag ref    12.0421
+Grid : Message : 92.817724 s : norm dag diff   7.21921e-14
+Grid : Message : 92.858973 s : Calling Deo and Doe and //assert Deo+Doe == Dunprec
+Grid : Message : 93.210378 s : src_e0.499997
+Grid : Message : 93.583286 s : src_o0.500003
+Grid : Message : 93.682468 s : *********************************************************
+Grid : Message : 93.682471 s : * Benchmarking DomainWallFermionF::DhopEO                
+Grid : Message : 93.682472 s : * Vectorising space-time by 8
+Grid : Message : 93.682473 s : * SINGLE precision 
+Grid : Message : 93.682475 s : * Using Overlapped Comms/Compute
+Grid : Message : 93.682476 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 93.682477 s : *********************************************************
+Grid : Message : 95.162342 s : Deo mflop/s =   3.92487e+07
+Grid : Message : 95.162387 s : Deo mflop/s per rank   2.45305e+06
+Grid : Message : 95.162389 s : Deo mflop/s per node   9.81219e+06
+Grid : Message : 95.232801 s : r_e6.02111
+Grid : Message : 95.240061 s : r_o6.02102
+Grid : Message : 95.245975 s : res12.0421
+Grid : Message : 95.833402 s : norm diff   0
+Grid : Message : 96.573829 s : norm diff even  0
+Grid : Message : 96.868272 s : norm diff odd   0
+ Dirichlet block [0 64 64 32 32]
+Grid : Message : 97.756909 s : Grid Layout
+Grid : Message : 97.756911 s : 	Global lattice size  : 64 64 64 64 
+Grid : Message : 97.756921 s : 	OpenMP threads       : 4
+Grid : Message : 97.756922 s : 	MPI tasks            : 2 2 2 2 
+Grid : Message : 97.897085 s : Initialising 4d RNG
+Grid : Message : 97.965061 s : Intialising parallel RNG with unique string 'The 4D RNG'
+Grid : Message : 97.965097 s : Seed SHA256: 49db4542db694e3b1a74bf2592a8c1b83bfebbe18401693c2609a4c3af1
+Grid : Message : 98.367431 s : Initialising 5d RNG
+Grid : Message : 99.752745 s : Intialising parallel RNG with unique string 'The 5D RNG'
+Grid : Message : 99.752790 s : Seed SHA256: b6316f2fac44ce14111f93e0296389330b077bfd0a7b359f781c58589f8a
+Grid : Message : 111.290148 s : Drawing gauge field
+Grid : Message : 112.349289 s : Random gauge initialised 
+Grid : Message : 112.349320 s : Applying BCs 
+Grid : Message : 113.948740 s : Setting up Cshift based reference 
+Grid : Message : 140.320415 s : *****************************************************************
+Grid : Message : 140.320443 s : * Kernel options --dslash-generic, --dslash-unroll, --dslash-asm
+Grid : Message : 140.320444 s : *****************************************************************
+Grid : Message : 140.320445 s : *****************************************************************
+Grid : Message : 140.320446 s : * Benchmarking DomainWallFermionR::Dhop                  
+Grid : Message : 140.320447 s : * Vectorising space-time by 8
+Grid : Message : 140.320448 s : * VComplexF size is 64 B
+Grid : Message : 140.320450 s : * SINGLE precision 
+Grid : Message : 140.320451 s : * Using Overlapped Comms/Compute
+Grid : Message : 140.320452 s : * Using GENERIC Nc WilsonKernels
+Grid : Message : 140.320453 s : *****************************************************************
+Grid : Message : 142.296150 s : Called warmup
+Grid : Message : 144.397678 s : Called Dw 300 times in 2.36719e+06 us
+Grid : Message : 144.397700 s : mflop/s =   4.49058e+07
+Grid : Message : 144.397702 s : mflop/s per rank =  2.80661e+06
+Grid : Message : 144.397704 s : mflop/s per node =  1.12265e+07
+Grid : Message : 144.397706 s : RF  GiB/s (base 2) =   91247.6
+Grid : Message : 144.397708 s : mem GiB/s (base 2) =   57029.7
+Grid : Message : 144.401269 s : norm diff   9.78944e-14
+Grid : Message : 186.885460 s : Compare to naive wilson implementation Dag to verify correctness
+Grid : Message : 186.885492 s : Called DwDag
+Grid : Message : 186.885493 s : norm dag result 10.4157
+Grid : Message : 186.897154 s : norm dag ref    11.2266
+Grid : Message : 186.912538 s : norm dag diff   0.484633

systems/Tursa/dwf4.slurm

@@ -1,14 +1,13 @@
 #!/bin/bash
 #SBATCH -J dslash
-#SBATCH -A tc002
-#SBATCH -t 2:20:00
-#SBATCH --nodelist=tu-c0r0n[00,03,06,09]
+#SBATCH -A dp207
 #SBATCH --exclusive
 #SBATCH --nodes=4
 #SBATCH --ntasks=16
+#SBATCH --qos=standard
 #SBATCH --ntasks-per-node=4
 #SBATCH --cpus-per-task=8
-#SBATCH --time=12:00:00
+#SBATCH --time=0:05:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu:4
 #SBATCH --output=%x.%j.out

systems/mac-arm/config-command-mpi

@@ -0,0 +1 @@
+CXX=mpicxx-openmpi-mp CXXFLAGS=-I/opt/local/include/ LDFLAGS=-L/opt/local/lib/ ../../configure --enable-simd=GEN --enable-debug --enable-comms=mpi

tests/IO/Test_field_array_io.cc

@@ -1,184 +0,0 @@
-    /*************************************************************************************
-
-    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=64;
+    const int Ls=32;
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=1.0;
-    RealD M5  =0.99;
+    RealD mass=0.01;
+    RealD M5  =0.8;
     DomainWallFermionD Ddwf(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5);
 
     // Momentum space prop
@@ -353,12 +353,6 @@ 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;
@@ -389,7 +383,7 @@ int main (int argc, char ** argv)
     GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,&GRID);
     GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,&GRID);
 
-    RealD mass=1.0;
+    RealD mass=0.01;
     RealD M5  =0.8;
 
     OverlapWilsonCayleyTanhFermionD Dov(Umu,*FGrid,*FrbGrid,GRID,RBGRID,mass,M5,1.0);

tests/core/Test_fft_gfix.cc

@@ -29,10 +29,14 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/Grid.h>
 
 using namespace Grid;
+ ;
 
-template<typename Gimpl>
-void run(double alpha, bool do_fft_gfix){
+int main (int argc, char ** argv)
+{
   std::vector<int> seeds({1,2,3,4});
+
+  Grid_init(&argc,&argv);
+
   int threads = GridThread::GetThreads();
 
   Coordinate latt_size   = GridDefaultLatt();
@@ -51,7 +55,10 @@ void run(double alpha, bool do_fft_gfix){
   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;
@@ -65,165 +72,81 @@ void run(double alpha, bool do_fft_gfix){
   LatticeColourMatrix   xform1(&GRID); // Gauge xform
   LatticeColourMatrix   xform2(&GRID); // Gauge xform
   LatticeColourMatrix   xform3(&GRID); // Gauge xform
-
-  //#########################################################################################
-
-  std::cout<< "*********************************************************************************************************" <<std::endl;
-  std::cout<< "* Testing steepest descent fixing to Landau gauge with randomly transformed unit gauge configuration    *" <<std::endl;
-  std::cout<< "*********************************************************************************************************" <<std::endl;
   
   SU<Nc>::ColdConfiguration(pRNG,Umu); // Unit gauge
   Uorg=Umu;
-
-  Real init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<< init_plaq << std::endl;
-
-  //Apply a random gauge transformation to the unit gauge config
   Urnd=Umu;
-  SU<Nc>::RandomGaugeTransform<Gimpl>(pRNG,Urnd,g);
 
-  //Gauge fix the randomly transformed field 
+  SU<Nc>::RandomGaugeTransform(pRNG,Urnd,g); // Unit gauge
+
+  Real plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<<plaq << std::endl;
+
+  Real alpha=0.1;
+
   Umu = Urnd;
-  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
+  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform1,alpha,10000,1.0e-12, 1.0e-12,false);
 
   // Check the gauge xform matrices
   Utmp=Urnd;
-  SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform1);
+  SU<Nc>::GaugeTransform(Utmp,xform1);
   Utmp = Utmp - Umu;
-  std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
+  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
   
 
-  Real 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;
 
   Uorg = Uorg - Umu;
-  std::cout << " Norm difference between a unit gauge configuration and the gauge fixed configuration "<< norm2(Uorg) << " (expect 0)" << std::endl;
-  std::cout << " Norm of gauge fixed configuration "<< norm2(Umu) << std::endl;
-
-  //#########################################################################################
-  if(do_fft_gfix){
-    std::cout<< "*************************************************************************************" <<std::endl;
-    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with unit gauge configuration  *" <<std::endl;
-    std::cout<< "*************************************************************************************" <<std::endl;
-    Umu=Urnd;
-    FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
-
-    Utmp=Urnd;
-    SU<Nc>::GaugeTransform<Gimpl>(Utmp,xform2);
-    Utmp = Utmp - Umu;
-    std::cout << " Check the output gauge transformation matrices applied to the original field produce the xformed field "<< norm2(Utmp) << " (expect 0)" << std::endl;
+  std::cout << " Norm Difference "<< norm2(Uorg) << std::endl;
+  std::cout << " Norm "<< norm2(Umu) << std::endl;
 
 
-    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 Fourier accelerated fixing                            *" <<std::endl;
+  std::cout<< "*****************************************************************" <<std::endl;
+  Umu=Urnd;
+  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,xform2,alpha,10000,1.0e-12, 1.0e-12,true);
 
-  std::cout<< "******************************************************************************************" <<std::endl;
-  std::cout<< "* Testing steepest descent fixing to Landau gauge with random configuration             **" <<std::endl;
-  std::cout<< "******************************************************************************************" <<std::endl;
+  Utmp=Urnd;
+  SU<Nc>::GaugeTransform(Utmp,xform2);
+  Utmp = Utmp - Umu;
+  std::cout << " Norm Difference of xformed gauge "<< norm2(Utmp) << std::endl;
 
-  SU<Nc>::HotConfiguration(pRNG,Umu);
 
-  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<< init_plaq << std::endl;
+  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<plaq << std::endl;
 
-  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,false);
+  std::cout<< "*****************************************************************" <<std::endl;
+  std::cout<< "* Testing non-unit configuration                                *" <<std::endl;
+  std::cout<< "*****************************************************************" <<std::endl;
 
-  plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Final plaquette "<<plaq << " diff " << plaq - init_plaq << " (expect 0)" << std::endl;
+  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
 
-  //#########################################################################################
-  if(do_fft_gfix){
-    std::cout<< "******************************************************************************************" <<std::endl;
-    std::cout<< "* Testing Fourier accelerated fixing to Landau gauge with random configuration          **" <<std::endl;
-    std::cout<< "******************************************************************************************" <<std::endl;
+  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<<plaq << std::endl;
 
-    SU<Nc>::HotConfiguration(pRNG,Umu);
+  FourierAcceleratedGaugeFixer<PeriodicGimplR>::SteepestDescentGaugeFix(Umu,alpha,10000,1.0e-12, 1.0e-12,true);
 
-    init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-    std::cout << " Initial plaquette "<< init_plaq << std::endl;
+  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  std::cout << " Final plaquette "<<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;
+  std::cout<< "*****************************************************************" <<std::endl;
+  std::cout<< "* Testing Fourier accelerated fixing to coulomb gauge           *" <<std::endl;
+  std::cout<< "*****************************************************************" <<std::endl;
 
   Umu=Urnd;
-  SU<Nc>::HotConfiguration(pRNG,Umu);
+  SU<Nc>::HotConfiguration(pRNG,Umu); // Unit gauge
 
-  init_plaq=WilsonLoops<Gimpl>::avgPlaquette(Umu);
-  std::cout << " Initial plaquette "<< init_plaq << std::endl;
+  plaq=WilsonLoops<PeriodicGimplR>::avgPlaquette(Umu);
+  std::cout << " Initial plaquette "<<plaq << std::endl;
 
-  FourierAcceleratedGaugeFixer<Gimpl>::SteepestDescentGaugeFix(Umu,xform3,alpha,10000,1.0e-12, 1.0e-12,false,coulomb_dir);
+  FourierAcceleratedGaugeFixer<PeriodicGimplR>::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;
+  std::cout << Umu<<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

@@ -228,59 +228,6 @@ 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);
@@ -323,13 +270,6 @@ int main(int argc, char *argv[])
   {
     checkGammaL(i, sRNG);
   }
-
-  std::cout << GridLogMessage << "======== Charge conjugation matrix check" << std::endl;
-  checkChargeConjMatrix();
-  std::cout << GridLogMessage << std::endl;
-  
-
-
   
   Grid_finalize();
   

tests/core/Test_gparity.cc

@@ -55,17 +55,13 @@ 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);
 
   for(int i=1;i<argc;i++){
     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;
     }
   }
 
@@ -159,18 +155,13 @@ int main (int argc, char ** argv)
 
   //Coordinate grid for reference
   LatticeInteger    xcoor_1f5(FGrid_1f);
-  LatticeCoordinate(xcoor_1f5,1+nu); //note '1+nu'! This is because for 5D fields the s-direction is direction 0
+  LatticeCoordinate(xcoor_1f5,1+nu);
   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;
-
-  //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);
+  StandardDiracOp Ddwf(Umu_1f,*FGrid_1f,*FrbGrid_1f,*UGrid_1f,*UrbGrid_1f,mass,M5 DOP_PARAMS);
 
   StandardFermionField    src_o_1f(FrbGrid_1f);
   StandardFermionField result_o_1f(FrbGrid_1f);
@@ -181,11 +172,9 @@ int main (int argc, char ** argv)
   ConjugateGradient<StandardFermionField> CG(1.0e-8,10000);
   CG(HermOpEO,src_o_1f,result_o_1f);
   
-  //Gparity Dirac op
+  //  const int nu = 3;
   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);
@@ -282,11 +271,8 @@ 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;
 
-  //Compare norms
-  std::cout << " result norms 2f: " <<norm2(result_o_2f)<<" 1f: " <<norm2(result_o_1f)<<std::endl;
+  std::cout << " result norms " <<norm2(result_o_2f)<<" " <<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); 
@@ -295,15 +281,14 @@ int main (int argc, char ** argv)
   res0=Zero();
   res1=Zero();
 
-  res0o = PeekIndex<0>(result_o_2f,0); //flavor 0, odd cb
-  res1o = PeekIndex<0>(result_o_2f,1); //flavor 1, odd cb
+  res0o = PeekIndex<0>(result_o_2f,0);
+  res1o = PeekIndex<0>(result_o_2f,1);
 
   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); 
+  setCheckerboard(res0,res0o);
+  setCheckerboard(res1,res1o);
 
   StandardFermionField replica (FGrid_1f);
   StandardFermionField replica0(FGrid_1f);
@@ -311,13 +296,12 @@ 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 1f reconstructed from 2f: " <<norm2(replica)<<" Actual 1f: "<< norm2(replica0)<<std::endl;
+  std::cout << "Norm2 solutions is " <<norm2(replica)<<" "<< norm2(replica0)<<std::endl;
 
   replica = replica - replica0;
   

tests/core/Test_precision_change.cc

@@ -1,114 +0,0 @@
-    /*************************************************************************************
-
-    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

@@ -71,14 +71,26 @@ 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);
 
-  const int nu = 0; //gparity direction
+  //  DomainWallFermionR Dw     (U,     Grid,RBGrid,mass,M5);
+
+  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

@@ -71,10 +71,8 @@ int main (int argc, char ** argv)
   RealD mass=0.01; 
   RealD M5=1.8; 
 
-  const int nu = 1;
-  std::vector<int> twists(Nd,0);
-  twists[nu] = 1;
-  twists[3] = 1;
+  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);
   Ddwf.M   (phi,Mphi);
@@ -93,28 +91,16 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   // Modify the gauge field a little 
   ////////////////////////////////////
-  RealD dt = 0.01;
+  RealD dt = 0.0001;
 
-  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++){
 
-    // 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();
-      }
-    }
+    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu); // Traceless antihermitian momentum; gaussian in lie alg
 
     PokeIndex<LorentzIndex>(mom,mommu,mu);
 
@@ -139,12 +125,6 @@ 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

@@ -1,446 +0,0 @@
-    /*************************************************************************************
-
-    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

@@ -64,12 +64,8 @@ int main (int argc, char ** argv)
   ////////////////////////////////////
   RealD mass=0.01; 
 
-  const int nu = 1;
-  const int Lnu=latt_size[nu];
-
-  std::vector<int> twists(Nd,0);
-  twists[nu] = 1;
-  twists[3]=1;
+  const int nu = 3;
+  std::vector<int> twists(Nd,0);  twists[nu] = 1;
   GparityWilsonFermionR::ImplParams params;  params.twists = twists;
   GparityWilsonFermionR Wil(U,*UGrid,*UrbGrid,mass,params);
   Wil.M   (phi,Mphi);
@@ -91,28 +87,17 @@ 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();
-      }
-    }
+    SU<Nc>::GaussianFundamentalLieAlgebraMatrix(RNG4, mommu); 
+
     PokeIndex<LorentzIndex>(mom,mommu,mu);
-    
+
     // fourth order exponential approx
     autoView( mom_v, mom, CpuRead);
     autoView( U_v , U, CpuRead);
@@ -145,10 +130,6 @@ 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++){
@@ -158,14 +139,12 @@ 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 << "Delta S "<<Sprime-S<<std::endl;
+  std::cout << GridLogMessage << "dS      "<<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

@@ -89,49 +89,7 @@ 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

@@ -1,260 +0,0 @@
-/*************************************************************************************
-
-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

@@ -1,257 +0,0 @@
-    /*************************************************************************************
-
-    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 = 1;
+  CPparams.saveInterval = 5;
   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 = 1;
+  const int nu = 3;
   std::vector<int> twists(Nd,0);
   twists[nu] = 1;
   ConjugateGimplD::setDirections(twists);

tests/hmc/Test_rhmc_EOWilsonRatioPowQuarter.cc

@@ -1,139 +0,0 @@
-    /*************************************************************************************
-
-    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
-
-
-
-
-