No compile on comms == none fix

Think this is nearly there

bootstrap.sh

@@ -5,7 +5,7 @@ EIGEN_URL='http://bitbucket.org/eigen/eigen/get/3.3.3.tar.bz2'
 echo "-- deploying Eigen source..."
 wget ${EIGEN_URL} --no-check-certificate
 ./scripts/update_eigen.sh `basename ${EIGEN_URL}`
-#rm `basename ${EIGEN_URL}`
+rm `basename ${EIGEN_URL}`
 
 echo '-- generating Make.inc files...'
 ./scripts/filelist

lib/algorithms/Algorithms.h

@@ -39,10 +39,6 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/approx/MultiShiftFunction.h>
 #include <Grid/algorithms/approx/Forecast.h>
 
-#include <Grid/algorithms/densematrix/DenseMatrix.h>
-#include <Grid/algorithms/densematrix/Francis.h>
-#include <Grid/algorithms/densematrix/Householder.h>
-
 #include <Grid/algorithms/iterative/ConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateResidual.h>
 #include <Grid/algorithms/iterative/NormalEquations.h>
@@ -52,8 +48,6 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/iterative/BlockConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateGradientReliableUpdate.h>
 #include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
-#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczosCJ.h>
-#include <Grid/algorithms/iterative/SimpleLanczos.h>
 #include <Grid/algorithms/CoarsenedMatrix.h>
 #include <Grid/algorithms/FFT.h>
 

lib/algorithms/CoarsenedMatrix.h

@@ -103,29 +103,32 @@ namespace Grid {
     GridBase *CoarseGrid;
     GridBase *FineGrid;
     std::vector<Lattice<Fobj> > subspace;
+    int checkerboard;
 
-    Aggregation(GridBase *_CoarseGrid,GridBase *_FineGrid) : 
-      CoarseGrid(_CoarseGrid),
+  Aggregation(GridBase *_CoarseGrid,GridBase *_FineGrid,int _checkerboard) : 
+    CoarseGrid(_CoarseGrid),
       FineGrid(_FineGrid),
-      subspace(nbasis,_FineGrid)
+      subspace(nbasis,_FineGrid),
+      checkerboard(_checkerboard)
 	{
 	};
   
     void Orthogonalise(void){
       CoarseScalar InnerProd(CoarseGrid); 
+      std::cout << GridLogMessage <<" Gramm-Schmidt pass 1"<<std::endl;
       blockOrthogonalise(InnerProd,subspace);
+      std::cout << GridLogMessage <<" Gramm-Schmidt pass 2"<<std::endl;
+      blockOrthogonalise(InnerProd,subspace);
+      //      std::cout << GridLogMessage <<" Gramm-Schmidt checking orthogonality"<<std::endl;
+      //      CheckOrthogonal();
     } 
     void CheckOrthogonal(void){
       CoarseVector iProj(CoarseGrid); 
       CoarseVector eProj(CoarseGrid); 
-      Lattice<CComplex> pokey(CoarseGrid);
-
-      
       for(int i=0;i<nbasis;i++){
 	blockProject(iProj,subspace[i],subspace);
-
 	eProj=zero; 
-	for(int ss=0;ss<CoarseGrid->oSites();ss++){
+	parallel_for(int ss=0;ss<CoarseGrid->oSites();ss++){
 	  eProj._odata[ss](i)=CComplex(1.0);
 	}
 	eProj=eProj - iProj;
@@ -137,6 +140,7 @@ namespace Grid {
       blockProject(CoarseVec,FineVec,subspace);
     }
     void PromoteFromSubspace(const CoarseVector &CoarseVec,FineField &FineVec){
+      FineVec.checkerboard = subspace[0].checkerboard;
       blockPromote(CoarseVec,FineVec,subspace);
     }
     void CreateSubspaceRandom(GridParallelRNG &RNG){
@@ -147,6 +151,7 @@ namespace Grid {
       Orthogonalise();
     }
 
+    /*
     virtual void CreateSubspaceLanczos(GridParallelRNG  &RNG,LinearOperatorBase<FineField> &hermop,int nn=nbasis) 
     {
       // Run a Lanczos with sloppy convergence
@@ -195,7 +200,7 @@ namespace Grid {
 	  std::cout << GridLogMessage <<"subspace["<<b<<"] = "<<norm2(subspace[b])<<std::endl;
 	}
     }
-
+    */
     virtual void CreateSubspace(GridParallelRNG  &RNG,LinearOperatorBase<FineField> &hermop,int nn=nbasis) {
 
       RealD scale;

lib/algorithms/LinearOperator.h

@@ -8,7 +8,6 @@
 
 Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@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
@@ -331,130 +330,7 @@ namespace Grid {
 	assert(0);// Never need with staggered
       }
     };
-//    template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
-    template<class Matrix,class Field>
-//      class SchurStagOperator :  public LinearOperatorBase<Field> {
-      class SchurStagOperator :  public SchurOperatorBase<Field> {
-    protected:
-      Matrix &_Mat;
-    public:
-      SchurStagOperator (Matrix &Mat): _Mat(Mat){};
-      virtual  RealD Mpc      (const Field &in, Field &out) {
-	Field tmp(in._grid);
-	Field tmp2(in._grid);
-
-	_Mat.Mooee(in,out);
-	_Mat.Mooee(out,tmp);
-
-	_Mat.Meooe(in,out);
-	_Mat.Meooe(out,tmp2);
-
-	return axpy_norm(out,-1.0,tmp2,tmp);
-      }
-      virtual  RealD MpcDag   (const Field &in, Field &out){
-
-	return Mpc(in,out);
-      }
-#if 0
-      virtual void MpcDagMpc(const Field &in, Field &out,RealD &ni,RealD &no) {
-	Field tmp(in._grid);
-	ni=Mpc(in,tmp);
-	no=MpcDag(tmp,out);
-      }
-#endif
-      void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
-	n2 = Mpc(in,out);
-	ComplexD dot = innerProduct(in,out);
-	n1 = real(dot);
-      }
-      void HermOp(const Field &in, Field &out){
-	RealD n1,n2;
-	HermOpAndNorm(in,out,n1,n2);
-      }
-      void Op     (const Field &in, Field &out){
-	Mpc(in,out);
-      }
-      void AdjOp     (const Field &in, Field &out){ 
-	MpcDag(in,out);
-      }
-      // Support for coarsening to a multigrid
-      void OpDiag (const Field &in, Field &out) {
-	assert(0); // must coarsen the unpreconditioned system
-      }
-      void OpDir  (const Field &in, Field &out,int dir,int disp) {
-	assert(0);
-      }
-
-    };
-
-#if 0
-  // This is specific to (Z)mobius fermions
-  template<class Matrix, class Field>
-    class KappaSimilarityTransform {
-  public:
-//    INHERIT_IMPL_TYPES(Matrix);
-    typedef typename Matrix::Coeff_t                     Coeff_t;
-    std::vector<Coeff_t> kappa, kappaDag, kappaInv, kappaInvDag;
-
-    KappaSimilarityTransform (Matrix &zmob) {
-      for (int i=0;i<(int)zmob.bs.size();i++) {
-	Coeff_t k = 1.0 / ( 2.0 * (zmob.bs[i] *(4 - zmob.M5) + 1.0) );
-	kappa.push_back( k );
-	kappaDag.push_back( conj(k) );
-	kappaInv.push_back( 1.0 / k );
-	kappaInvDag.push_back( 1.0 / conj(k) );
-      }
-    }
-
-  template<typename vobj>
-    void sscale(const Lattice<vobj>& in, Lattice<vobj>& out, Coeff_t* s) {
-    GridBase *grid=out._grid;
-    out.checkerboard = in.checkerboard;
-    assert(grid->_simd_layout[0] == 1); // should be fine for ZMobius for now
-    int Ls = grid->_rdimensions[0];
-    parallel_for(int ss=0;ss<grid->oSites();ss++){
-      vobj tmp = s[ss % Ls]*in._odata[ss];
-      vstream(out._odata[ss],tmp);
-    }
-  }
-
-  RealD sscale_norm(const Field& in, Field& out, Coeff_t* s) {
-    sscale(in,out,s);
-    return norm2(out);
-  }
-
-  virtual RealD M       (const Field& in, Field& out) { return sscale_norm(in,out,&kappa[0]);   }
-  virtual RealD MDag    (const Field& in, Field& out) { return sscale_norm(in,out,&kappaDag[0]);}
-  virtual RealD MInv    (const Field& in, Field& out) { return sscale_norm(in,out,&kappaInv[0]);}
-  virtual RealD MInvDag (const Field& in, Field& out) { return sscale_norm(in,out,&kappaInvDag[0]);}
-
-  };
-
-  template<class Matrix,class Field>
-    class SchurDiagTwoKappaOperator :  public SchurOperatorBase<Field> {
-  public:
-    KappaSimilarityTransform<Matrix, Field> _S;
-    SchurDiagTwoOperator<Matrix, Field> _Mat;
-
-    SchurDiagTwoKappaOperator (Matrix &Mat): _S(Mat), _Mat(Mat) {};
-
-    virtual  RealD Mpc      (const Field &in, Field &out) {
-      Field tmp(in._grid);
-
-      _S.MInv(in,out);
-      _Mat.Mpc(out,tmp);
-      return _S.M(tmp,out);
-
-    }
-    virtual  RealD MpcDag   (const Field &in, Field &out){
-      Field tmp(in._grid);
-
-      _S.MDag(in,out);
-      _Mat.MpcDag(out,tmp);
-      return _S.MInvDag(tmp,out);
-    }
-  };
-#endif
+    template<class Matrix,class Field> using SchurStagOperator = SchurStaggeredOperator<Matrix,Field>;
 
 
     /////////////////////////////////////////////////////////////
@@ -470,6 +346,14 @@ namespace Grid {
       virtual void operator() (const Field &in, Field &out) = 0;
     };
 
+    template<class Field> class IdentityLinearFunction : public LinearFunction<Field> {
+    public:
+      void operator() (const Field &in, Field &out){
+	out = in;
+      };
+    };
+
+
     /////////////////////////////////////////////////////////////
     // Base classes for Multishift solvers for operators
     /////////////////////////////////////////////////////////////
@@ -492,6 +376,64 @@ namespace Grid {
      };
     */
 
+  ////////////////////////////////////////////////////////////////////////////////////////////
+  // Hermitian operator Linear function and operator function
+  ////////////////////////////////////////////////////////////////////////////////////////////
+    template<class Field>
+      class HermOpOperatorFunction : public OperatorFunction<Field> {
+      void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+	Linop.HermOp(in,out);
+      };
+    };
+
+    template<typename Field>
+      class PlainHermOp : public LinearFunction<Field> {
+    public:
+      LinearOperatorBase<Field> &_Linop;
+      
+      PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) 
+      {}
+      
+      void operator()(const Field& in, Field& out) {
+	_Linop.HermOp(in,out);
+      }
+    };
+
+    template<typename Field>
+    class FunctionHermOp : public LinearFunction<Field> {
+    public:
+      OperatorFunction<Field>   & _poly;
+      LinearOperatorBase<Field> &_Linop;
+      
+      FunctionHermOp(OperatorFunction<Field> & poly,LinearOperatorBase<Field>& linop) 
+	: _poly(poly), _Linop(linop) {};
+      
+      void operator()(const Field& in, Field& out) {
+	_poly(_Linop,in,out);
+      }
+    };
+
+  template<class Field>
+  class Polynomial : public OperatorFunction<Field> {
+  private:
+    std::vector<RealD> Coeffs;
+  public:
+    Polynomial(std::vector<RealD> &_Coeffs) : Coeffs(_Coeffs) { };
+
+    // Implement the required interface
+    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
+
+      Field AtoN(in._grid);
+      Field Mtmp(in._grid);
+      AtoN = in;
+      out = AtoN*Coeffs[0];
+      for(int n=1;n<Coeffs.size();n++){
+	Mtmp = AtoN;
+	Linop.HermOp(Mtmp,AtoN);
+	out=out+AtoN*Coeffs[n];
+      }
+    };
+  };
 
 }
 

lib/algorithms/approx/Chebyshev.h

@@ -34,41 +34,12 @@ Author: Christoph Lehner <clehner@bnl.gov>
 
 namespace Grid {
 
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  // Simple general polynomial with user supplied coefficients
-  ////////////////////////////////////////////////////////////////////////////////////////////
-  template<class Field>
-  class HermOpOperatorFunction : public OperatorFunction<Field> {
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-      Linop.HermOp(in,out);
-    };
-  };
-
-  template<class Field>
-  class Polynomial : public OperatorFunction<Field> {
-  private:
-    std::vector<RealD> Coeffs;
-  public:
-    Polynomial(std::vector<RealD> &_Coeffs) : Coeffs(_Coeffs) { };
-
-    // Implement the required interface
-    void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
-
-      Field AtoN(in._grid);
-      Field Mtmp(in._grid);
-      AtoN = in;
-      out = AtoN*Coeffs[0];
-//            std::cout <<"Poly in " <<norm2(in)<<" size "<< Coeffs.size()<<std::endl;
-//            std::cout <<"Coeffs[0]= "<<Coeffs[0]<< " 0 " <<norm2(out)<<std::endl;
-      for(int n=1;n<Coeffs.size();n++){
-	Mtmp = AtoN;
-	Linop.HermOp(Mtmp,AtoN);
-	out=out+AtoN*Coeffs[n];
-//            std::cout <<"Coeffs "<<n<<"= "<< Coeffs[n]<< " 0 " <<std::endl;
-//		std::cout << n<<" " <<norm2(out)<<std::endl;
-      }
-    };
-  };
+struct ChebyParams : Serializable {
+  GRID_SERIALIZABLE_CLASS_MEMBERS(ChebyParams,
+				  RealD, alpha,  
+				  RealD, beta,   
+				  int, Npoly);
+};
 
   ////////////////////////////////////////////////////////////////////////////////////////////
   // Generic Chebyshev approximations
@@ -83,8 +54,10 @@ namespace Grid {
 
   public:
     void csv(std::ostream &out){
-	RealD diff = hi-lo;
-      for (RealD x=lo-0.2*diff; x<hi+0.2*diff; x+=(hi-lo)/1000) {
+      RealD diff = hi-lo;
+      RealD delta = (hi-lo)*1.0e-9;
+      for (RealD x=lo; x<hi; x+=delta) {
+	delta*=1.1;
 	RealD f = approx(x);
 	out<< x<<" "<<f<<std::endl;
       }
@@ -100,6 +73,7 @@ namespace Grid {
     };
 
     Chebyshev(){};
+    Chebyshev(ChebyParams p){ Init(p.alpha,p.beta,p.Npoly);};
     Chebyshev(RealD _lo,RealD _hi,int _order, RealD (* func)(RealD) ) {Init(_lo,_hi,_order,func);};
     Chebyshev(RealD _lo,RealD _hi,int _order) {Init(_lo,_hi,_order);};
 

lib/algorithms/densematrix/DenseMatrix.h

@@ -1,137 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/DenseMatrix.h
-
-    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 */
-#ifndef GRID_DENSE_MATRIX_H
-#define GRID_DENSE_MATRIX_H
-
-namespace Grid {
-    /////////////////////////////////////////////////////////////
-    // Matrix untils
-    /////////////////////////////////////////////////////////////
-
-template<class T> using DenseVector = std::vector<T>;
-template<class T> using DenseMatrix = DenseVector<DenseVector<T> >;
-
-template<class T> void Size(DenseVector<T> & vec, int &N) 
-{ 
-  N= vec.size();
-}
-template<class T> void Size(DenseMatrix<T> & mat, int &N,int &M) 
-{ 
-  N= mat.size();
-  M= mat[0].size();
-}
-
-template<class T> void SizeSquare(DenseMatrix<T> & mat, int &N) 
-{ 
-  int M; Size(mat,N,M);
-  assert(N==M);
-}
-
-template<class T> void Resize(DenseVector<T > & mat, int N) { 
-  mat.resize(N);
-}
-template<class T> void Resize(DenseMatrix<T > & mat, int N, int M) { 
-  mat.resize(N);
-  for(int i=0;i<N;i++){
-    mat[i].resize(M);
-  }
-}
-template<class T> void Fill(DenseMatrix<T> & mat, T&val) { 
-  int N,M;
-  Size(mat,N,M);
-  for(int i=0;i<N;i++){
-  for(int j=0;j<M;j++){
-    mat[i][j] = val;
-  }}
-}
-
-/** Transpose of a matrix **/
-template<class T> DenseMatrix<T> Transpose(DenseMatrix<T> & mat){
-  int N,M;
-  Size(mat,N,M);
-  DenseMatrix<T> C; Resize(C,M,N);
-  for(int i=0;i<M;i++){
-  for(int j=0;j<N;j++){
-    C[i][j] = mat[j][i];
-  }} 
-  return C;
-}
-/** Set DenseMatrix to unit matrix **/
-template<class T> void Unity(DenseMatrix<T> &A){
-  int N;  SizeSquare(A,N);
-  for(int i=0;i<N;i++){
-    for(int j=0;j<N;j++){
-      if ( i==j ) A[i][j] = 1;
-      else        A[i][j] = 0;
-    } 
-  } 
-}
-
-/** Add C * I to matrix **/
-template<class T>
-void PlusUnit(DenseMatrix<T> & A,T c){
-  int dim;  SizeSquare(A,dim);
-  for(int i=0;i<dim;i++){A[i][i] = A[i][i] + c;} 
-}
-
-/** return the Hermitian conjugate of matrix **/
-template<class T>
-DenseMatrix<T> HermitianConj(DenseMatrix<T> &mat){
-
-  int dim; SizeSquare(mat,dim);
-
-  DenseMatrix<T> C; Resize(C,dim,dim);
-
-  for(int i=0;i<dim;i++){
-    for(int j=0;j<dim;j++){
-      C[i][j] = conj(mat[j][i]);
-    } 
-  } 
-  return C;
-}
-/**Get a square submatrix**/
-template <class T>
-DenseMatrix<T> GetSubMtx(DenseMatrix<T> &A,int row_st, int row_end, int col_st, int col_end)
-{
-  DenseMatrix<T> H; Resize(H,row_end - row_st,col_end-col_st);
-
-  for(int i = row_st; i<row_end; i++){
-  for(int j = col_st; j<col_end; j++){
-    H[i-row_st][j-col_st]=A[i][j];
-  }}
-  return H;
-}
-
-}
-
-#include "Householder.h"
-#include "Francis.h"
-
-#endif
-

lib/algorithms/densematrix/Francis.h

@@ -1,525 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/Francis.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 */
-#ifndef FRANCIS_H
-#define FRANCIS_H
-
-#include <cstdlib>
-#include <string>
-#include <cmath>
-#include <iostream>
-#include <sstream>
-#include <stdexcept>
-#include <fstream>
-#include <complex>
-#include <algorithm>
-
-//#include <timer.h>
-//#include <lapacke.h>
-//#include <Eigen/Dense>
-
-namespace Grid {
-
-template <class T> int SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
-template <class T> int     Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small);
-
-/**
-  Find the eigenvalues of an upper hessenberg matrix using the Francis QR algorithm.
-H =
-      x  x  x  x  x  x  x  x  x
-      x  x  x  x  x  x  x  x  x
-      0  x  x  x  x  x  x  x  x
-      0  0  x  x  x  x  x  x  x
-      0  0  0  x  x  x  x  x  x
-      0  0  0  0  x  x  x  x  x
-      0  0  0  0  0  x  x  x  x
-      0  0  0  0  0  0  x  x  x
-      0  0  0  0  0  0  0  x  x
-Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.
-**/
-template <class T>
-int QReigensystem(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
-{
-  DenseMatrix<T> H = Hin; 
-
-  int N ; SizeSquare(H,N);
-  int M = N;
-
-  Fill(evals,0);
-  Fill(evecs,0);
-
-  T s,t,x=0,y=0,z=0;
-  T u,d;
-  T apd,amd,bc;
-  DenseVector<T> p(N,0);
-  T nrm = Norm(H);    ///DenseMatrix Norm
-  int n, m;
-  int e = 0;
-  int it = 0;
-  int tot_it = 0;
-  int l = 0;
-  int r = 0;
-  DenseMatrix<T> P; Resize(P,N,N); Unity(P);
-  DenseVector<int> trows(N,0);
-
-  /// Check if the matrix is really hessenberg, if not abort
-  RealD sth = 0;
-  for(int j=0;j<N;j++){
-    for(int i=j+2;i<N;i++){
-      sth = abs(H[i][j]);
-      if(sth > small){
-	std::cout << "Non hessenberg H = " << sth << " > " << small << std::endl;
-	exit(1);
-      }
-    }
-  }
-
-  do{
-    std::cout << "Francis QR Step N = " << N << std::endl;
-    /** Check for convergence
-      x  x  x  x  x
-      0  x  x  x  x
-      0  0  x  x  x
-      0  0  x  x  x
-      0  0  0  0  x
-      for this matrix l = 4
-     **/
-    do{
-      l = Chop_subdiag(H,nrm,e,small);
-      r = 0;    ///May have converged on more than one eval
-      ///Single eval
-      if(l == N-1){
-        evals[e] = H[l][l];
-        N--; e++; r++; it = 0;
-      }
-      ///RealD eval
-      if(l == N-2){
-        trows[l+1] = 1;    ///Needed for UTSolve
-        apd = H[l][l] + H[l+1][l+1];
-        amd = H[l][l] - H[l+1][l+1];
-        bc =  (T)4.0*H[l+1][l]*H[l][l+1];
-        evals[e]   = (T)0.5*( apd + sqrt(amd*amd + bc) );
-        evals[e+1] = (T)0.5*( apd - sqrt(amd*amd + bc) );
-        N-=2; e+=2; r++; it = 0;
-      }
-    } while(r>0);
-
-    if(N ==0) break;
-
-    DenseVector<T > ck; Resize(ck,3);
-    DenseVector<T> v;   Resize(v,3);
-
-    for(int m = N-3; m >= l; m--){
-      ///Starting vector essentially random shift.
-      if(it%10 == 0 && N >= 3 && it > 0){
-        s = (T)1.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
-        t = (T)0.618033989*( abs( H[N-1][N-2] ) + abs( H[N-2][N-3] ) );
-        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
-        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
-        z = H[m+1][m]*H[m+2][m+1];
-      }
-      ///Starting vector implicit Q theorem
-      else{
-        s = (H[N-2][N-2] + H[N-1][N-1]);
-        t = (H[N-2][N-2]*H[N-1][N-1] - H[N-2][N-1]*H[N-1][N-2]);
-        x = H[m][m]*H[m][m] + H[m][m+1]*H[m+1][m] - s*H[m][m] + t;
-        y = H[m+1][m]*(H[m][m] + H[m+1][m+1] - s);
-        z = H[m+1][m]*H[m+2][m+1];
-      }
-      ck[0] = x; ck[1] = y; ck[2] = z;
-
-      if(m == l) break;
-
-      /** Some stupid thing from numerical recipies, seems to work**/
-      // PAB.. for heaven's sake quote page, purpose, evidence it works.
-      //       what sort of comment is that!?!?!?
-      u=abs(H[m][m-1])*(abs(y)+abs(z));
-      d=abs(x)*(abs(H[m-1][m-1])+abs(H[m][m])+abs(H[m+1][m+1]));
-      if ((T)abs(u+d) == (T)abs(d) ){
-	l = m; break;
-      }
-
-      //if (u < small){l = m; break;}
-    }
-    if(it > 100000){
-     std::cout << "QReigensystem: bugger it got stuck after 100000 iterations" << std::endl;
-     std::cout << "got " << e << " evals " << l << " " << N << std::endl;
-      exit(1);
-    }
-    normalize(ck);    ///Normalization cancels in PHP anyway
-    T beta;
-    Householder_vector<T >(ck, 0, 2, v, beta);
-    Householder_mult<T >(H,v,beta,0,l,l+2,0);
-    Householder_mult<T >(H,v,beta,0,l,l+2,1);
-    ///Accumulate eigenvector
-    Householder_mult<T >(P,v,beta,0,l,l+2,1);
-    int sw = 0;      ///Are we on the last row?
-    for(int k=l;k<N-2;k++){
-      x = H[k+1][k];
-      y = H[k+2][k];
-      z = (T)0.0;
-      if(k+3 <= N-1){
-	z = H[k+3][k];
-      } else{
-	sw = 1; 
-	v[2] = (T)0.0;
-      }
-      ck[0] = x; ck[1] = y; ck[2] = z;
-      normalize(ck);
-      Householder_vector<T >(ck, 0, 2-sw, v, beta);
-      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,0);
-      Householder_mult<T >(H,v, beta,0,k+1,k+3-sw,1);
-      ///Accumulate eigenvector
-      Householder_mult<T >(P,v, beta,0,k+1,k+3-sw,1);
-    }
-    it++;
-    tot_it++;
-  }while(N > 1);
-  N = evals.size();
-  ///Annoying - UT solves in reverse order;
-  DenseVector<T> tmp; Resize(tmp,N);
-  for(int i=0;i<N;i++){
-    tmp[i] = evals[N-i-1];
-  } 
-  evals = tmp;
-  UTeigenvectors(H, trows, evals, evecs);
-  for(int i=0;i<evals.size();i++){evecs[i] = P*evecs[i]; normalize(evecs[i]);}
-  return tot_it;
-}
-
-template <class T>
-int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small)
-{
-  /**
-  Find the eigenvalues of an upper Hessenberg matrix using the Wilkinson QR algorithm.
-  H =
-  x  x  0  0  0  0
-  x  x  x  0  0  0
-  0  x  x  x  0  0
-  0  0  x  x  x  0
-  0  0  0  x  x  x
-  0  0  0  0  x  x
-  Factorization is P T P^H where T is upper triangular (mod cc blocks) and P is orthagonal/unitary.  **/
-  return my_Wilkinson(Hin, evals, evecs, small, small);
-}
-
-template <class T>
-int my_Wilkinson(DenseMatrix<T> &Hin, DenseVector<T> &evals, DenseMatrix<T> &evecs, RealD small, RealD tol)
-{
-  int N; SizeSquare(Hin,N);
-  int M = N;
-
-  ///I don't want to modify the input but matricies must be passed by reference
-  //Scale a matrix by its "norm"
-  //RealD Hnorm = abs( Hin.LargestDiag() ); H =  H*(1.0/Hnorm);
-  DenseMatrix<T> H;  H = Hin;
-  
-  RealD Hnorm = abs(Norm(Hin));
-  H = H * (1.0 / Hnorm);
-
-  // TODO use openmp and memset
-  Fill(evals,0);
-  Fill(evecs,0);
-
-  T s, t, x = 0, y = 0, z = 0;
-  T u, d;
-  T apd, amd, bc;
-  DenseVector<T> p; Resize(p,N); Fill(p,0);
-
-  T nrm = Norm(H);    ///DenseMatrix Norm
-  int n, m;
-  int e = 0;
-  int it = 0;
-  int tot_it = 0;
-  int l = 0;
-  int r = 0;
-  DenseMatrix<T> P; Resize(P,N,N);
-  Unity(P);
-  DenseVector<int> trows(N, 0);
-  /// Check if the matrix is really symm tridiag
-  RealD sth = 0;
-  for(int j = 0; j < N; ++j)
-  {
-    for(int i = j + 2; i < N; ++i)
-    {
-      if(abs(H[i][j]) > tol || abs(H[j][i]) > tol)
-      {
-	std::cout << "Non Tridiagonal H(" << i << ","<< j << ") = |" << Real( real( H[j][i] ) ) << "| > " << tol << std::endl;
-	std::cout << "Warning tridiagonalize and call again" << std::endl;
-        // exit(1); // see what is going on
-        //return;
-      }
-    }
-  }
-
-  do{
-    do{
-      //Jasper
-      //Check if the subdiagonal term is small enough (<small)
-      //if true then it is converged.
-      //check start from H.dim - e - 1
-      //How to deal with more than 2 are converged?
-      //What if Chop_symm_subdiag return something int the middle?
-      //--------------
-      l = Chop_symm_subdiag(H,nrm, e, small);
-      r = 0;    ///May have converged on more than one eval
-      //Jasper
-      //In this case
-      // x  x  0  0  0  0
-      // x  x  x  0  0  0
-      // 0  x  x  x  0  0
-      // 0  0  x  x  x  0
-      // 0  0  0  x  x  0
-      // 0  0  0  0  0  x  <- l
-      //--------------
-      ///Single eval
-      if(l == N - 1)
-      {
-        evals[e] = H[l][l];
-        N--;
-        e++;
-        r++;
-        it = 0;
-      }
-      //Jasper
-      // x  x  0  0  0  0
-      // x  x  x  0  0  0
-      // 0  x  x  x  0  0
-      // 0  0  x  x  0  0
-      // 0  0  0  0  x  x  <- l
-      // 0  0  0  0  x  x
-      //--------------
-      ///RealD eval
-      if(l == N - 2)
-      {
-        trows[l + 1] = 1;    ///Needed for UTSolve
-        apd = H[l][l] + H[l + 1][ l + 1];
-        amd = H[l][l] - H[l + 1][l + 1];
-        bc =  (T) 4.0 * H[l + 1][l] * H[l][l + 1];
-        evals[e] = (T) 0.5 * (apd + sqrt(amd * amd + bc));
-        evals[e + 1] = (T) 0.5 * (apd - sqrt(amd * amd + bc));
-        N -= 2;
-        e += 2;
-        r++;
-        it = 0;
-      }
-    }while(r > 0);
-    //Jasper
-    //Already converged
-    //--------------
-    if(N == 0) break;
-
-    DenseVector<T> ck,v; Resize(ck,2); Resize(v,2);
-
-    for(int m = N - 3; m >= l; m--)
-    {
-      ///Starting vector essentially random shift.
-      if(it%10 == 0 && N >= 3 && it > 0)
-      {
-        t = abs(H[N - 1][N - 2]) + abs(H[N - 2][N - 3]);
-        x = H[m][m] - t;
-        z = H[m + 1][m];
-      } else {
-      ///Starting vector implicit Q theorem
-        d = (H[N - 2][N - 2] - H[N - 1][N - 1]) * (T) 0.5;
-        t =  H[N - 1][N - 1] - H[N - 1][N - 2] * H[N - 1][N - 2] 
-	  / (d + sign(d) * sqrt(d * d + H[N - 1][N - 2] * H[N - 1][N - 2]));
-        x = H[m][m] - t;
-        z = H[m + 1][m];
-      }
-      //Jasper
-      //why it is here????
-      //-----------------------
-      if(m == l)
-        break;
-
-      u = abs(H[m][m - 1]) * (abs(y) + abs(z));
-      d = abs(x) * (abs(H[m - 1][m - 1]) + abs(H[m][m]) + abs(H[m + 1][m + 1]));
-      if ((T)abs(u + d) == (T)abs(d))
-      {
-        l = m;
-        break;
-      }
-    }
-    //Jasper
-    if(it > 1000000)
-    {
-      std::cout << "Wilkinson: bugger it got stuck after 100000 iterations" << std::endl;
-      std::cout << "got " << e << " evals " << l << " " << N << std::endl;
-      exit(1);
-    }
-    //
-    T s, c;
-    Givens_calc<T>(x, z, c, s);
-    Givens_mult<T>(H, l, l + 1, c, -s, 0);
-    Givens_mult<T>(H, l, l + 1, c,  s, 1);
-    Givens_mult<T>(P, l, l + 1, c,  s, 1);
-    //
-    for(int k = l; k < N - 2; ++k)
-    {
-      x = H.A[k + 1][k];
-      z = H.A[k + 2][k];
-      Givens_calc<T>(x, z, c, s);
-      Givens_mult<T>(H, k + 1, k + 2, c, -s, 0);
-      Givens_mult<T>(H, k + 1, k + 2, c,  s, 1);
-      Givens_mult<T>(P, k + 1, k + 2, c,  s, 1);
-    }
-    it++;
-    tot_it++;
-  }while(N > 1);
-
-  N = evals.size();
-  ///Annoying - UT solves in reverse order;
-  DenseVector<T> tmp(N);
-  for(int i = 0; i < N; ++i)
-    tmp[i] = evals[N-i-1];
-  evals = tmp;
-  //
-  UTeigenvectors(H, trows, evals, evecs);
-  //UTSymmEigenvectors(H, trows, evals, evecs);
-  for(int i = 0; i < evals.size(); ++i)
-  {
-    evecs[i] = P * evecs[i];
-    normalize(evecs[i]);
-    evals[i] = evals[i] * Hnorm;
-  }
-  // // FIXME this is to test
-  // Hin.write("evecs3", evecs);
-  // Hin.write("evals3", evals);
-  // // check rsd
-  // for(int i = 0; i < M; i++) {
-  //   vector<T> Aevec = Hin * evecs[i];
-  //   RealD norm2(0.);
-  //   for(int j = 0; j < M; j++) {
-  //     norm2 += (Aevec[j] - evals[i] * evecs[i][j]) * (Aevec[j] - evals[i] * evecs[i][j]);
-  //   }
-  // }
-  return tot_it;
-}
-
-template <class T>
-void Hess(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
-
-  /**
-  turn a matrix A =
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  x  x  x  x  x
-  into
-  x  x  x  x  x
-  x  x  x  x  x
-  0  x  x  x  x
-  0  0  x  x  x
-  0  0  0  x  x
-  with householder rotations
-  Slow.
-  */
-  int N ; SizeSquare(A,N);
-  DenseVector<T > p; Resize(p,N); Fill(p,0);
-
-  for(int k=start;k<N-2;k++){
-    //cerr << "hess" << k << std::endl;
-    DenseVector<T > ck,v; Resize(ck,N-k-1); Resize(v,N-k-1);
-    for(int i=k+1;i<N;i++){ck[i-k-1] = A(i,k);}  ///kth column
-    normalize(ck);    ///Normalization cancels in PHP anyway
-    T beta;
-    Householder_vector<T >(ck, 0, ck.size()-1, v, beta);  ///Householder vector
-    Householder_mult<T>(A,v,beta,start,k+1,N-1,0);  ///A -> PA
-    Householder_mult<T >(A,v,beta,start,k+1,N-1,1);  ///PA -> PAP^H
-    ///Accumulate eigenvector
-    Householder_mult<T >(Q,v,beta,start,k+1,N-1,1);  ///Q -> QP^H
-  }
-  /*for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-    A(0,k,l);
-    }
-    }*/
-}
-
-template <class T>
-void Tri(DenseMatrix<T > &A, DenseMatrix<T> &Q, int start){
-///Tridiagonalize a matrix
-  int N; SizeSquare(A,N);
-  Hess(A,Q,start);
-  /*for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-    A(0,l,k);
-    }
-    }*/
-}
-
-template <class T>
-void ForceTridiagonal(DenseMatrix<T> &A){
-///Tridiagonalize a matrix
-  int N ; SizeSquare(A,N);
-  for(int l=0;l<N-2;l++){
-    for(int k=l+2;k<N;k++){
-      A[l][k]=0;
-      A[k][l]=0;
-    }
-  }
-}
-
-template <class T>
-int my_SymmEigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  ///Solve a symmetric eigensystem, not necessarily in tridiagonal form
-  int N; SizeSquare(Ain,N);
-  DenseMatrix<T > A; A = Ain;
-  DenseMatrix<T > Q; Resize(Q,N,N); Unity(Q);
-  Tri(A,Q,0);
-  int it = my_Wilkinson<T>(A, evals, evecs, small);
-  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
-  return it;
-}
-
-
-template <class T>
-int Wilkinson(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  return my_Wilkinson(Ain, evals, evecs, small);
-}
-
-template <class T>
-int SymmEigensystem(DenseMatrix<T> &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-  return my_SymmEigensystem(Ain, evals, evecs, small);
-}
-
-template <class T>
-int Eigensystem(DenseMatrix<T > &Ain, DenseVector<T> &evals, DenseVector<DenseVector<T> > &evecs, RealD small){
-///Solve a general eigensystem, not necessarily in tridiagonal form
-  int N = Ain.dim;
-  DenseMatrix<T > A(N); A = Ain;
-  DenseMatrix<T > Q(N);Q.Unity();
-  Hess(A,Q,0);
-  int it = QReigensystem<T>(A, evals, evecs, small);
-  for(int k=0;k<N;k++){evecs[k] = Q*evecs[k];}
-  return it;
-}
-
-}
-#endif

lib/algorithms/densematrix/Householder.h

@@ -1,242 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/Householder.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 */
-#ifndef HOUSEHOLDER_H
-#define HOUSEHOLDER_H
-
-#define TIMER(A) std::cout << GridLogMessage << __FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-#define ENTER()  std::cout << GridLogMessage << "ENTRY "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-#define LEAVE()  std::cout << GridLogMessage << "EXIT  "<<__FUNC__ << " file "<< __FILE__ <<" line " << __LINE__ << std::endl;
-
-#include <cstdlib>
-#include <string>
-#include <cmath>
-#include <iostream>
-#include <sstream>
-#include <stdexcept>
-#include <fstream>
-#include <complex>
-#include <algorithm>
-
-namespace Grid {
-/** Comparison function for finding the max element in a vector **/
-template <class T> bool cf(T i, T j) { 
-  return abs(i) < abs(j); 
-}
-
-/** 
-	Calculate a real Givens angle 
- **/
-template <class T> inline void Givens_calc(T y, T z, T &c, T &s){
-
-  RealD mz = (RealD)abs(z);
-  
-  if(mz==0.0){
-    c = 1; s = 0;
-  }
-  if(mz >= (RealD)abs(y)){
-    T t = -y/z;
-    s = (T)1.0 / sqrt ((T)1.0 + t * t);
-    c = s * t;
-  } else {
-    T t = -z/y;
-    c = (T)1.0 / sqrt ((T)1.0 + t * t);
-    s = c * t;
-  }
-}
-
-template <class T> inline void Givens_mult(DenseMatrix<T> &A,  int i, int k, T c, T s, int dir)
-{
-  int q ; SizeSquare(A,q);
-
-  if(dir == 0){
-    for(int j=0;j<q;j++){
-      T nu = A[i][j];
-      T w  = A[k][j];
-      A[i][j] = (c*nu + s*w);
-      A[k][j] = (-s*nu + c*w);
-    }
-  }
-
-  if(dir == 1){
-    for(int j=0;j<q;j++){
-      T nu = A[j][i];
-      T w  = A[j][k];
-      A[j][i] = (c*nu - s*w);
-      A[j][k] = (s*nu + c*w);
-    }
-  }
-}
-
-/**
-	from input = x;
-	Compute the complex Householder vector, v, such that
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-
-	P | x |    | x | k = 0
-	| x |    | 0 | 
-	| x | =  | 0 |
-	| x |    | 0 | j = 3
-	| x |	   | x |
-
-	These are the "Unreduced" Householder vectors.
-
- **/
-template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, DenseVector<T> &v, T &beta)
-{
-  int N ; Size(input,N);
-  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf<T> );
-
-  if(abs(m) > 0.0){
-    T alpha = 0;
-
-    for(int i=k; i<j+1; i++){
-      v[i] = input[i]/m;
-      alpha = alpha + v[i]*conj(v[i]);
-    }
-    alpha = sqrt(alpha);
-    beta = (T)1.0/(alpha*(alpha + abs(v[k]) ));
-
-    if(abs(v[k]) > 0.0)  v[k] = v[k] + (v[k]/abs(v[k]))*alpha;
-    else                 v[k] = -alpha;
-  } else{
-    for(int i=k; i<j+1; i++){
-      v[i] = 0.0;
-    } 
-  }
-}
-
-/**
-	from input = x;
-	Compute the complex Householder vector, v, such that
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-
-	Px = alpha*e_dir
-
-	These are the "Unreduced" Householder vectors.
-
- **/
-
-template <class T> inline void Householder_vector(DenseVector<T> input, int k, int j, int dir, DenseVector<T> &v, T &beta)
-{
-  int N = input.size();
-  T m = *max_element(input.begin() + k, input.begin() + j + 1, cf);
-  
-  if(abs(m) > 0.0){
-    T alpha = 0;
-
-    for(int i=k; i<j+1; i++){
-      v[i] = input[i]/m;
-      alpha = alpha + v[i]*conj(v[i]);
-    }
-    
-    alpha = sqrt(alpha);
-    beta = 1.0/(alpha*(alpha + abs(v[dir]) ));
-	
-    if(abs(v[dir]) > 0.0) v[dir] = v[dir] + (v[dir]/abs(v[dir]))*alpha;
-    else                  v[dir] = -alpha;
-  }else{
-    for(int i=k; i<j+1; i++){
-      v[i] = 0.0;
-    } 
-  }
-}
-
-/**
-	Compute the product PA if trans = 0
-	AP if trans = 1
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-	start at element l of matrix A
-	v is of length j - k + 1 of v are nonzero
- **/
-
-template <class T> inline void Householder_mult(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int k, int j, int trans)
-{
-  int N ; SizeSquare(A,N);
-
-  if(abs(beta) > 0.0){
-    for(int p=l; p<N; p++){
-      T s = 0;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) s += conj(v[i-k])*A[i][p];
-	s *= beta;
-	for(int i=k;i<j+1;i++){ A[i][p] = A[i][p]-s*conj(v[i-k]);}
-      } else {
-	for(int i=k;i<j+1;i++){ s += conj(v[i-k])*A[p][i];}
-	s *= beta;
-	for(int i=k;i<j+1;i++){ A[p][i]=A[p][i]-s*conj(v[i-k]);}
-      }
-    }
-  }
-}
-
-/**
-	Compute the product PA if trans = 0
-	AP if trans = 1
-	P = (I - b v transpose(v) )
-	b = 2/v.v
-	start at element l of matrix A
-	v is of length j - k + 1 of v are nonzero
-	A is tridiagonal
- **/
-template <class T> inline void Householder_mult_tri(DenseMatrix<T> &A , DenseVector<T> v, T beta, int l, int M, int k, int j, int trans)
-{
-  if(abs(beta) > 0.0){
-
-    int N ; SizeSquare(A,N);
-
-    DenseMatrix<T> tmp; Resize(tmp,N,N); Fill(tmp,0); 
-
-    T s;
-    for(int p=l; p<M; p++){
-      s = 0;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) s = s + conj(v[i-k])*A[i][p];
-      }else{
-	for(int i=k;i<j+1;i++) s = s + v[i-k]*A[p][i];
-      }
-      s = beta*s;
-      if(trans==0){
-	for(int i=k;i<j+1;i++) tmp[i][p] = tmp(i,p) - s*v[i-k];
-      }else{
-	for(int i=k;i<j+1;i++) tmp[p][i] = tmp[p][i] - s*conj(v[i-k]);
-      }
-    }
-    for(int p=l; p<M; p++){
-      if(trans==0){
-	for(int i=k;i<j+1;i++) A[i][p] = A[i][p] + tmp[i][p];
-      }else{
-	for(int i=k;i<j+1;i++) A[p][i] = A[p][i] + tmp[p][i];
-      }
-    }
-  }
-}
-}
-#endif

lib/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockImplicitlyRestartedLanczos.h

@@ -1,753 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@bnl.gov>
-Author: Christoph Lehner <clehner@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_BIRL_H
-#define GRID_BIRL_H
-
-#include <string.h> //memset
-
-#include <zlib.h>
-#include <sys/stat.h>
-
-#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockedGrid.h>
-#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/FieldBasisVector.h>
-#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockProjector.h>
-
-namespace Grid { 
-
-/////////////////////////////////////////////////////////////
-// Implicitly restarted lanczos
-/////////////////////////////////////////////////////////////
-
- template<class Field> 
- class BlockImplicitlyRestartedLanczos {
-
-    const RealD small = 1.0e-16;
-public:       
-    int lock;
-    int get;
-    int Niter;
-    int converged;
-
-    int Nminres; // Minimum number of restarts; only check for convergence after
-    int Nstop;   // Number of evecs checked for convergence
-    int Nk;      // Number of converged sought
-    int Np;      // Np -- Number of spare vecs in kryloc space
-    int Nm;      // Nm -- total number of vectors
-
-    int orth_period;
-
-    RealD OrthoTime;
-
-    RealD eresid, betastp;
-    SortEigen<Field> _sort;
-    LinearFunction<Field> &_HermOp;
-    LinearFunction<Field> &_HermOpTest;
-    /////////////////////////
-    // Constructor
-    /////////////////////////
-
-    BlockImplicitlyRestartedLanczos(
-			       LinearFunction<Field> & HermOp,
-			       LinearFunction<Field> & HermOpTest,
-			       int _Nstop, // sought vecs
-			       int _Nk, // sought vecs
-			       int _Nm, // spare vecs
-			       RealD _eresid, // resid in lmdue deficit 
-			       RealD _betastp, // if beta(k) < betastp: converged
-			       int _Niter, // Max iterations
-			       int _Nminres, int _orth_period = 1) :
-      _HermOp(HermOp),
-      _HermOpTest(HermOpTest),
-      Nstop(_Nstop),
-      Nk(_Nk),
-      Nm(_Nm),
-      eresid(_eresid),
-      betastp(_betastp),
-      Niter(_Niter),
-	Nminres(_Nminres),
-	orth_period(_orth_period)
-    { 
-      Np = Nm-Nk; assert(Np>0);
-    };
-
-    BlockImplicitlyRestartedLanczos(
-			       LinearFunction<Field> & HermOp,
-			       LinearFunction<Field> & HermOpTest,
-			       int _Nk, // sought vecs
-			       int _Nm, // spare vecs
-			       RealD _eresid, // resid in lmdue deficit 
-			       RealD _betastp, // if beta(k) < betastp: converged
-			       int _Niter, // Max iterations
-			       int _Nminres,
-			       int _orth_period = 1) : 
-      _HermOp(HermOp),
-      _HermOpTest(HermOpTest),
-      Nstop(_Nk),
-      Nk(_Nk),
-      Nm(_Nm),
-      eresid(_eresid),
-      betastp(_betastp),
-      Niter(_Niter),
-	Nminres(_Nminres),
-	orth_period(_orth_period)
-    { 
-      Np = Nm-Nk; assert(Np>0);
-    };
-
-
-/* Saad PP. 195
-1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
-2. For k = 1,2,...,m Do:
-3. wk:=Avk−βkv_{k−1}      
-4. αk:=(wk,vk)       // 
-5. wk:=wk−αkvk       // wk orthog vk 
-6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
-7. vk+1 := wk/βk+1
-8. EndDo
- */
-    void step(std::vector<RealD>& lmd,
-	      std::vector<RealD>& lme, 
-	      BasisFieldVector<Field>& evec,
-	      Field& w,int Nm,int k)
-    {
-      assert( k< Nm );
-
-      GridStopWatch gsw_op,gsw_o;
-
-      Field& evec_k = evec[k];
-
-      gsw_op.Start();
-      _HermOp(evec_k,w);
-      gsw_op.Stop();
-
-      if(k>0){
-	w -= lme[k-1] * evec[k-1];
-      }    
-
-      ComplexD zalph = innerProduct(evec_k,w); // 4. αk:=(wk,vk)
-      RealD     alph = real(zalph);
-
-      w = w - alph * evec_k;// 5. wk:=wk−αkvk
-
-      RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
-                                 // 7. vk+1 := wk/βk+1
-
-      std::cout<<GridLogMessage << "alpha[" << k << "] = " << zalph << " beta[" << k << "] = "<<beta<<std::endl;
-      const RealD tiny = 1.0e-20;
-      if ( beta < tiny ) { 
-	std::cout<<GridLogMessage << " beta is tiny "<<beta<<std::endl;
-     }
-      lmd[k] = alph;
-      lme[k]  = beta;
-
-      gsw_o.Start();
-      if (k>0 && k % orth_period == 0) { 
-	orthogonalize(w,evec,k); // orthonormalise
-      }
-      gsw_o.Stop();
-
-      if(k < Nm-1) { 
-	evec[k+1] = w;
-      }
-
-      std::cout << GridLogMessage << "Timing: operator=" << gsw_op.Elapsed() <<
-	" orth=" << gsw_o.Elapsed() << std::endl;
-
-    }
-
-    void qr_decomp(std::vector<RealD>& lmd,
-		   std::vector<RealD>& lme,
-		   int Nk,
-		   int Nm,
-		   std::vector<RealD>& Qt,
-		   RealD Dsh, 
-		   int kmin,
-		   int kmax)
-    {
-      int k = kmin-1;
-      RealD x;
-
-      RealD Fden = 1.0/hypot(lmd[k]-Dsh,lme[k]);
-      RealD c = ( lmd[k] -Dsh) *Fden;
-      RealD s = -lme[k] *Fden;
-      
-      RealD tmpa1 = lmd[k];
-      RealD tmpa2 = lmd[k+1];
-      RealD tmpb  = lme[k];
-
-      lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
-      lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
-      lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
-      x        =-s*lme[k+1];
-      lme[k+1] = c*lme[k+1];
-      
-      for(int i=0; i<Nk; ++i){
-	RealD Qtmp1 = Qt[i+Nm*k  ];
-	RealD Qtmp2 = Qt[i+Nm*(k+1)];
-	Qt[i+Nm*k    ] = c*Qtmp1 - s*Qtmp2;
-	Qt[i+Nm*(k+1)] = s*Qtmp1 + c*Qtmp2; 
-      }
-
-      // Givens transformations
-      for(int k = kmin; k < kmax-1; ++k){
-
-	RealD Fden = 1.0/hypot(x,lme[k-1]);
-	RealD c = lme[k-1]*Fden;
-	RealD s = - x*Fden;
-	
-	RealD tmpa1 = lmd[k];
-	RealD tmpa2 = lmd[k+1];
-	RealD tmpb  = lme[k];
-
-	lmd[k]   = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb;
-	lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb;
-	lme[k]   = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb;
-	lme[k-1] = c*lme[k-1] -s*x;
-
-	if(k != kmax-2){
-	  x = -s*lme[k+1];
-	  lme[k+1] = c*lme[k+1];
-	}
-
-	for(int i=0; i<Nk; ++i){
-	  RealD Qtmp1 = Qt[i+Nm*k    ];
-	  RealD Qtmp2 = Qt[i+Nm*(k+1)];
-	  Qt[i+Nm*k    ] = c*Qtmp1 -s*Qtmp2;
-	  Qt[i+Nm*(k+1)] = s*Qtmp1 +c*Qtmp2;
-	}
-      }
-    }
-
-#ifdef USE_LAPACK_IRL
-#define LAPACK_INT int
-//long long
-    void diagonalize_lapack(std::vector<RealD>& lmd,
-			    std::vector<RealD>& lme, 
-			    int N1,
-			    int N2,
-			    std::vector<RealD>& Qt,
-			    GridBase *grid){
-
-      std::cout << GridLogMessage << "diagonalize_lapack start\n";
-      GridStopWatch gsw;
-
-      const int size = Nm;
-      //  tevals.resize(size);
-      //  tevecs.resize(size);
-      LAPACK_INT NN = N1;
-      std::vector<double> evals_tmp(NN);
-      std::vector<double> evec_tmp(NN*NN);
-      memset(&evec_tmp[0],0,sizeof(double)*NN*NN);
-      //  double AA[NN][NN];
-      std::vector<double> DD(NN);
-      std::vector<double> EE(NN);
-      for (int i = 0; i< NN; i++)
-	for (int j = i - 1; j <= i + 1; j++)
-	  if ( j < NN && j >= 0 ) {
-	    if (i==j) DD[i] = lmd[i];
-	    if (i==j) evals_tmp[i] = lmd[i];
-	    if (j==(i-1)) EE[j] = lme[j];
-	  }
-      LAPACK_INT evals_found;
-      LAPACK_INT lwork = ( (18*NN) > (1+4*NN+NN*NN)? (18*NN):(1+4*NN+NN*NN)) ;
-      LAPACK_INT liwork =  3+NN*10 ;
-      std::vector<LAPACK_INT> iwork(liwork);
-      std::vector<double> work(lwork);
-      std::vector<LAPACK_INT> isuppz(2*NN);
-      char jobz = 'V'; // calculate evals & evecs
-      char range = 'I'; // calculate all evals
-      //    char range = 'A'; // calculate all evals
-      char uplo = 'U'; // refer to upper half of original matrix
-      char compz = 'I'; // Compute eigenvectors of tridiagonal matrix
-      std::vector<int> ifail(NN);
-      LAPACK_INT info;
-      //  int total = QMP_get_number_of_nodes();
-      //  int node = QMP_get_node_number();
-      //  GridBase *grid = evec[0]._grid;
-      int total = grid->_Nprocessors;
-      int node = grid->_processor;
-      int interval = (NN/total)+1;
-      double vl = 0.0, vu = 0.0;
-      LAPACK_INT il = interval*node+1 , iu = interval*(node+1);
-      if (iu > NN)  iu=NN;
-      double tol = 0.0;
-      if (1) {
-	memset(&evals_tmp[0],0,sizeof(double)*NN);
-	if ( il <= NN){
-	  std::cout << GridLogMessage << "dstegr started" << std::endl; 
-	  gsw.Start();
-	  dstegr(&jobz, &range, &NN,
-		 (double*)&DD[0], (double*)&EE[0],
-		 &vl, &vu, &il, &iu, // these four are ignored if second parameteris 'A'
-		 &tol, // tolerance
-		 &evals_found, &evals_tmp[0], (double*)&evec_tmp[0], &NN,
-		 &isuppz[0],
-		 &work[0], &lwork, &iwork[0], &liwork,
-		 &info);
-	  gsw.Stop();
-	  std::cout << GridLogMessage << "dstegr completed in " << gsw.Elapsed() << std::endl;
-	  for (int i = iu-1; i>= il-1; i--){
-	    evals_tmp[i] = evals_tmp[i - (il-1)];
-	    if (il>1) evals_tmp[i-(il-1)]=0.;
-	    for (int j = 0; j< NN; j++){
-	      evec_tmp[i*NN + j] = evec_tmp[(i - (il-1)) * NN + j];
-	      if (il>1) evec_tmp[(i-(il-1)) * NN + j]=0.;
-	    }
-	  }
-	}
-	{
-	  //        QMP_sum_double_array(evals_tmp,NN);
-	  //        QMP_sum_double_array((double *)evec_tmp,NN*NN);
-	  grid->GlobalSumVector(&evals_tmp[0],NN);
-	  grid->GlobalSumVector(&evec_tmp[0],NN*NN);
-	}
-      } 
-      // cheating a bit. It is better to sort instead of just reversing it, but the document of the routine says evals are sorted in increasing order. qr gives evals in decreasing order.
-      for(int i=0;i<NN;i++){
-	for(int j=0;j<NN;j++)
-	  Qt[(NN-1-i)*N2+j]=evec_tmp[i*NN + j];
-	lmd [NN-1-i]=evals_tmp[i];
-      }
-
-      std::cout << GridLogMessage << "diagonalize_lapack complete\n";
-    }
-#undef LAPACK_INT 
-#endif
-
-
-    void diagonalize(std::vector<RealD>& lmd,
-		     std::vector<RealD>& lme, 
-		     int N2,
-		     int N1,
-		     std::vector<RealD>& Qt,
-		     GridBase *grid)
-    {
-
-#ifdef USE_LAPACK_IRL
-    const int check_lapack=0; // just use lapack if 0, check against lapack if 1
-
-    if(!check_lapack)
-	return diagonalize_lapack(lmd,lme,N2,N1,Qt,grid);
-
-	std::vector <RealD> lmd2(N1);
-	std::vector <RealD> lme2(N1);
-	std::vector<RealD> Qt2(N1*N1);
-         for(int k=0; k<N1; ++k){
-	    lmd2[k] = lmd[k];
-	    lme2[k] = lme[k];
-	  }
-         for(int k=0; k<N1*N1; ++k)
-	Qt2[k] = Qt[k];
-
-//	diagonalize_lapack(lmd2,lme2,Nm2,Nm,Qt,grid);
-#endif
-
-      int Niter = 10000*N1;
-      int kmin = 1;
-      int kmax = N2;
-      // (this should be more sophisticated)
-
-      for(int iter=0; ; ++iter){
-      if ( (iter+1)%(100*N1)==0) 
-      std::cout<<GridLogMessage << "[QL method] Not converged - iteration "<<iter+1<<"\n";
-
-	// determination of 2x2 leading submatrix
-	RealD dsub = lmd[kmax-1]-lmd[kmax-2];
-	RealD dd = sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
-	RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
-	// (Dsh: shift)
-	
-	// transformation
-	qr_decomp(lmd,lme,N2,N1,Qt,Dsh,kmin,kmax);
-	
-	// Convergence criterion (redef of kmin and kamx)
-	for(int j=kmax-1; j>= kmin; --j){
-	  RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
-	  if(fabs(lme[j-1])+dds > dds){
-	    kmax = j+1;
-	    goto continued;
-	  }
-	}
-	Niter = iter;
-#ifdef USE_LAPACK_IRL
-    if(check_lapack){
-	const double SMALL=1e-8;
-	diagonalize_lapack(lmd2,lme2,N2,N1,Qt2,grid);
-	std::vector <RealD> lmd3(N2);
-         for(int k=0; k<N2; ++k) lmd3[k]=lmd[k];
-        _sort.push(lmd3,N2);
-        _sort.push(lmd2,N2);
-         for(int k=0; k<N2; ++k){
-	    if (fabs(lmd2[k] - lmd3[k]) >SMALL)  std::cout<<GridLogMessage <<"lmd(qr) lmd(lapack) "<< k << ": " << lmd2[k] <<" "<< lmd3[k] <<std::endl;
-//	    if (fabs(lme2[k] - lme[k]) >SMALL)  std::cout<<GridLogMessage <<"lme(qr)-lme(lapack) "<< k << ": " << lme2[k] - lme[k] <<std::endl;
-	  }
-         for(int k=0; k<N1*N1; ++k){
-//	    if (fabs(Qt2[k] - Qt[k]) >SMALL)  std::cout<<GridLogMessage <<"Qt(qr)-Qt(lapack) "<< k << ": " << Qt2[k] - Qt[k] <<std::endl;
-	}
-    }
-#endif
-	return;
-
-      continued:
-	for(int j=0; j<kmax-1; ++j){
-	  RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
-	  if(fabs(lme[j])+dds > dds){
-	    kmin = j+1;
-	    break;
-	  }
-	}
-      }
-      std::cout<<GridLogMessage << "[QL method] Error - Too many iteration: "<<Niter<<"\n";
-      abort();
-    }
-
-#if 1
-    template<typename T>
-    static RealD normalise(T& v) 
-    {
-      RealD nn = norm2(v);
-      nn = sqrt(nn);
-      v = v * (1.0/nn);
-      return nn;
-    }
-
-    void orthogonalize(Field& w,
-		       BasisFieldVector<Field>& evec,
-		       int k)
-    {
-      double t0=-usecond()/1e6;
-
-      evec.orthogonalize(w,k);
-
-      normalise(w);
-      t0+=usecond()/1e6;
-      OrthoTime +=t0;
-    }
-
-    void setUnit_Qt(int Nm, std::vector<RealD> &Qt) {
-      for(int i=0; i<Qt.size(); ++i) Qt[i] = 0.0;
-      for(int k=0; k<Nm; ++k) Qt[k + k*Nm] = 1.0;
-    }
-
-/* Rudy Arthur's thesis pp.137
-------------------------
-Require: M > K P = M − K †
-Compute the factorization AVM = VM HM + fM eM 
-repeat
-  Q=I
-  for i = 1,...,P do
-    QiRi =HM −θiI Q = QQi
-    H M = Q †i H M Q i
-  end for
-  βK =HM(K+1,K) σK =Q(M,K)
-  r=vK+1βK +rσK
-  VK =VM(1:M)Q(1:M,1:K)
-  HK =HM(1:K,1:K)
-  →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
-until convergence
-*/
-
-    void calc(std::vector<RealD>& eval,
-	      BasisFieldVector<Field>& evec,
-	      const Field& src,
-	      int& Nconv,
-	      bool reverse,
-	      int SkipTest)
-      {
-
-	GridBase *grid = evec._v[0]._grid;//evec.get(0 + evec_offset)._grid;
-	assert(grid == src._grid);
-
-	std::cout<<GridLogMessage << " -- Nk = " << Nk << " Np = "<< Np << std::endl;
-	std::cout<<GridLogMessage << " -- Nm = " << Nm << std::endl;
-	std::cout<<GridLogMessage << " -- size of eval   = " << eval.size() << std::endl;
-	std::cout<<GridLogMessage << " -- size of evec  = " << evec.size() << std::endl;
-	
-	assert(Nm <= evec.size() && Nm <= eval.size());
-
-	// quickly get an idea of the largest eigenvalue to more properly normalize the residuum
-	RealD evalMaxApprox = 0.0;
-	{
-	  auto src_n = src;
-	  auto tmp = src;
-	  const int _MAX_ITER_IRL_MEVAPP_ = 50;
-	  for (int i=0;i<_MAX_ITER_IRL_MEVAPP_;i++) {
-	    _HermOpTest(src_n,tmp);
-	    RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
-	    RealD vden = norm2(src_n);
-	    RealD na = vnum/vden;
-	    if (fabs(evalMaxApprox/na - 1.0) < 0.05)
-	      i=_MAX_ITER_IRL_MEVAPP_;
-	    evalMaxApprox = na;
-	    std::cout << GridLogMessage << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
-	    src_n = tmp;
-	  }
-	}
-	
-	std::vector<RealD> lme(Nm);  
-	std::vector<RealD> lme2(Nm);
-	std::vector<RealD> eval2(Nm);
-	std::vector<RealD> eval2_copy(Nm);
-	std::vector<RealD> Qt(Nm*Nm);
-
-
-	Field f(grid);
-	Field v(grid);
-  
-	int k1 = 1;
-	int k2 = Nk;
-
-	Nconv = 0;
-
-	RealD beta_k;
-  
-	// Set initial vector
-	evec[0] = src;
-	normalise(evec[0]);
-	std:: cout<<GridLogMessage <<"norm2(evec[0])= " << norm2(evec[0])<<std::endl;
-	
-	// Initial Nk steps
-	OrthoTime=0.;
-	double t0=usecond()/1e6;
-	for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
-	double t1=usecond()/1e6;
-	std::cout<<GridLogMessage <<"IRL::Initial steps: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	std::cout<<GridLogMessage <<"IRL::Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
-	t1=usecond()/1e6;
-
-	// Restarting loop begins
-	for(int iter = 0; iter<Niter; ++iter){
-	  
-	  std::cout<<GridLogMessage<<"\n Restart iteration = "<< iter << std::endl;
-	  
-	  // 
-	  // Rudy does a sort first which looks very different. Getting fed up with sorting out the algo defs.
-	  // We loop over 
-	  //
-	  OrthoTime=0.;
-	  for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL:: "<<Np <<" steps: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  std::cout<<GridLogMessage <<"IRL::Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
-	  f *= lme[Nm-1];
-	  
-	  t1=usecond()/1e6;
-
-	  
-	  // getting eigenvalues
-	  for(int k=0; k<Nm; ++k){
-	    eval2[k] = eval[k+k1-1];
-	    lme2[k] = lme[k+k1-1];
-	  }
-	  setUnit_Qt(Nm,Qt);
-	  diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL:: diagonalize: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  
-	  // sorting
-	  eval2_copy = eval2;
-
-	  _sort.push(eval2,Nm);
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL:: eval sorting: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  
-	  // Implicitly shifted QR transformations
-	  setUnit_Qt(Nm,Qt);
-	  for(int ip=0; ip<k2; ++ip){
-	    std::cout<<GridLogMessage << "eval "<< ip << " "<< eval2[ip] << std::endl;
-	  }
-
-	  for(int ip=k2; ip<Nm; ++ip){ 
-	    std::cout<<GridLogMessage << "qr_decomp "<< ip << " "<< eval2[ip] << std::endl;
-	    qr_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
-	    
-	  }
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL::qr_decomp: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  assert(k2<Nm);
-	  
-
-	  assert(k2<Nm);
-	  assert(k1>0);
-	  evec.rotate(Qt,k1-1,k2+1,0,Nm,Nm);
-	  
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL::QR rotation: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  fflush(stdout);
-	  
-	  // Compressed vector f and beta(k2)
-	  f *= Qt[Nm-1+Nm*(k2-1)];
-	  f += lme[k2-1] * evec[k2];
-	  beta_k = norm2(f);
-	  beta_k = sqrt(beta_k);
-	  std::cout<<GridLogMessage<<" beta(k) = "<<beta_k<<std::endl;
-	  
-	  RealD betar = 1.0/beta_k;
-	  evec[k2] = betar * f;
-	  lme[k2-1] = beta_k;
-	  
-	  // Convergence test
-	  for(int k=0; k<Nm; ++k){    
-	    eval2[k] = eval[k];
-	    lme2[k] = lme[k];
-
-	    std::cout<<GridLogMessage << "eval2[" << k << "] = " << eval2[k] << std::endl;
-	  }
-	  setUnit_Qt(Nm,Qt);
-	  diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
-	  t1=usecond()/1e6;
-	  std::cout<<GridLogMessage <<"IRL::diagonalize: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	  
-	  
-	  Nconv = 0;
-	  
-	  if (iter >= Nminres) {
-	    std::cout << GridLogMessage << "Rotation to test convergence " << std::endl;
-	    
-	    Field ev0_orig(grid);
-	    ev0_orig = evec[0];
-	    
-	    evec.rotate(Qt,0,Nk,0,Nk,Nm);
-	    
-	    {
-	      std::cout << GridLogMessage << "Test convergence" << std::endl;
-	      Field B(grid);
-	      
-	      for(int j = 0; j<Nk; j+=SkipTest){
-		B=evec[j];
-		//std::cout << "Checkerboard: " << evec[j].checkerboard << std::endl; 
-		B.checkerboard = evec[0].checkerboard;
-
-		_HermOpTest(B,v);
-		
-		RealD vnum = real(innerProduct(B,v)); // HermOp.
-		RealD vden = norm2(B);
-		RealD vv0 = norm2(v);
-		eval2[j] = vnum/vden;
-		v -= eval2[j]*B;
-		RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
-		std::cout.precision(13);
-		std::cout<<GridLogMessage << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<j<<"] "
-			 <<"eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[j] << " (" << eval2_copy[j] << ")"
-			 <<" |H B[i] - eval[i]B[i]|^2 / evalMaxApprox^2 " << std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv
-			 <<" "<< vnum/(sqrt(vden)*sqrt(vv0))
-			 << " norm(B["<<j<<"])="<< vden <<std::endl;
-		
-		// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
-		if((vv<eresid*eresid) && (j == Nconv) ){
-		  Nconv+=SkipTest;
-		}
-	      }
-	      
-	      // test if we converged, if so, terminate
-	      t1=usecond()/1e6;
-	      std::cout<<GridLogMessage <<"IRL::convergence testing: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
-	      
-	      std::cout<<GridLogMessage<<" #modes converged: "<<Nconv<<std::endl;
-	      
-	      if( Nconv>=Nstop || beta_k < betastp){
-		goto converged;
-	      }
-	      
-	      std::cout << GridLogMessage << "Rotate back" << std::endl;
-	      //B[j] +=Qt[k+_Nm*j] * _v[k]._odata[ss];
-	      {
-		Eigen::MatrixXd qm = Eigen::MatrixXd::Zero(Nk,Nk);
-		for (int k=0;k<Nk;k++)
-		  for (int j=0;j<Nk;j++)
-		    qm(j,k) = Qt[k+Nm*j];
-		GridStopWatch timeInv;
-		timeInv.Start();
-		Eigen::MatrixXd qmI = qm.inverse();
-		timeInv.Stop();
-		std::vector<RealD> QtI(Nm*Nm);
-		for (int k=0;k<Nk;k++)
-		  for (int j=0;j<Nk;j++)
-		    QtI[k+Nm*j] = qmI(j,k);
-		
-		RealD res_check_rotate_inverse = (qm*qmI - Eigen::MatrixXd::Identity(Nk,Nk)).norm(); // sqrt( |X|^2 )
-		assert(res_check_rotate_inverse < 1e-7);
-		evec.rotate(QtI,0,Nk,0,Nk,Nm);
-		
-		axpy(ev0_orig,-1.0,evec[0],ev0_orig);
-		std::cout << GridLogMessage << "Rotation done (in " << timeInv.Elapsed() << " = " << timeInv.useconds() << " us" <<
-		  ", error = " << res_check_rotate_inverse << 
-		  "); | evec[0] - evec[0]_orig | = " << ::sqrt(norm2(ev0_orig)) << std::endl;
-	      }
-	    }
-	  } else {
-	    std::cout << GridLogMessage << "iter < Nminres: do not yet test for convergence\n";
-	  } // end of iter loop
-	}
-
-	std::cout<<GridLogMessage<<"\n NOT converged.\n";
-	abort();
-	
-      converged:
-
-	if (SkipTest == 1) {
-	  eval = eval2;
-	} else {
-
-	  // test quickly
-	  for (int j=0;j<Nstop;j+=SkipTest) {
-	    std::cout<<GridLogMessage << "Eigenvalue[" << j << "] = " << eval2[j] << " (" << eval2_copy[j] << ")" << std::endl;
-	  }
-
-	  eval2_copy.resize(eval2.size());
-	  eval = eval2_copy;
-	}
-
-	evec.sortInPlace(eval,reverse);
-
-	{
-	  
-	 // test
-	 for (int j=0;j<Nstop;j++) {
-	   std::cout<<GridLogMessage << " |e[" << j << "]|^2 = " << norm2(evec[j]) << std::endl;
-	 }
-       }
-       
-       //_sort.push(eval,evec,Nconv);
-       //evec.sort(eval,Nconv);
-       
-       std::cout<<GridLogMessage << "\n Converged\n Summary :\n";
-       std::cout<<GridLogMessage << " -- Iterations  = "<< Nconv  << "\n";
-       std::cout<<GridLogMessage << " -- beta(k)     = "<< beta_k << "\n";
-       std::cout<<GridLogMessage << " -- Nconv       = "<< Nconv  << "\n";
-      }
-#endif
-
-    };
-
-}
-#endif
-

lib/algorithms/iterative/BlockImplicitlyRestartedLanczos/FieldBasisVector.h

@@ -1,163 +0,0 @@
-namespace Grid { 
-
-template<class Field>
-class BasisFieldVector {
- public:
-  int _Nm;
-
-  typedef typename Field::scalar_type Coeff_t;
-  typedef typename Field::vector_type vCoeff_t;
-  typedef typename Field::vector_object vobj;
-  typedef typename vobj::scalar_object sobj;
-
-  std::vector<Field> _v; // _Nfull vectors
-
-  void report(int n,GridBase* value) {
-
-    std::cout << GridLogMessage << "BasisFieldVector allocated:\n";
-    std::cout << GridLogMessage << " Delta N = " << n << "\n";
-    std::cout << GridLogMessage << " Size of full vectors (size) = " << 
-      ((double)n*sizeof(vobj)*value->oSites() / 1024./1024./1024.) << " GB\n";
-    std::cout << GridLogMessage << " Size = " << _v.size() << " Capacity = " << _v.capacity() << std::endl;
-
-    value->Barrier();
-
-    if (value->IsBoss()) {
-      system("cat /proc/meminfo");
-    }
-
-    value->Barrier();
-
-  }
-
-  BasisFieldVector(int Nm,GridBase* value) : _Nm(Nm), _v(Nm,value) {
-    report(Nm,value);
-  }
-  
-  ~BasisFieldVector() {
-  }
-
-  Field& operator[](int i) {
-    return _v[i];
-  }
-
-  void orthogonalize(Field& w, int k) {
-    for(int j=0; j<k; ++j){
-      Coeff_t ip = (Coeff_t)innerProduct(_v[j],w);
-      w = w - ip*_v[j];
-    }
-  }
-
-  void rotate(std::vector<RealD>& Qt,int j0, int j1, int k0,int k1,int Nm) {
-    
-    GridBase* grid = _v[0]._grid;
-      
-#pragma omp parallel
-    {
-      std::vector < vobj > B(Nm);
-      
-#pragma omp for
-      for(int ss=0;ss < grid->oSites();ss++){
-	for(int j=j0; j<j1; ++j) B[j]=0.;
-	
-	for(int j=j0; j<j1; ++j){
-	  for(int k=k0; k<k1; ++k){
-	    B[j] +=Qt[k+Nm*j] * _v[k]._odata[ss];
-	  }
-	}
-	for(int j=j0; j<j1; ++j){
-	  _v[j]._odata[ss] = B[j];
-	}
-      }
-    }
-
-  }
-
-  size_t size() const {
-    return _Nm;
-  }
-
-  void resize(int n) {
-    if (n > _Nm)
-      _v.reserve(n);
-    
-    _v.resize(n,_v[0]._grid);
-
-    if (n < _Nm)
-      _v.shrink_to_fit();
-
-    report(n - _Nm,_v[0]._grid);
-
-    _Nm = n;
-  }
-
-  std::vector<int> getIndex(std::vector<RealD>& sort_vals) {
-
-    std::vector<int> idx(sort_vals.size());
-    iota(idx.begin(), idx.end(), 0);
-
-    // sort indexes based on comparing values in v
-    sort(idx.begin(), idx.end(),
-	 [&sort_vals](int i1, int i2) {return ::fabs(sort_vals[i1]) < ::fabs(sort_vals[i2]);});
-
-    return idx;
-  }
-
-  void reorderInPlace(std::vector<RealD>& sort_vals, std::vector<int>& idx) {
-    GridStopWatch gsw;
-    gsw.Start();
-
-    int nswaps = 0;
-    for (size_t i=0;i<idx.size();i++) {
-      if (idx[i] != i) {
-
-	// find proper place (this could be done in logarithmic time, don't bother for now)
-	size_t j;
-	for (j=i;j<idx.size();j++)
-	  if (idx[j]==i)
-	    break;
-	assert(j!=idx.size());
-	
-	Field _t(_v[0]._grid);
-	_t = _v[idx[j]];
-	_v[idx[j]] = _v[idx[i]];
-	_v[idx[i]] = _t;
-
-	RealD _td = sort_vals[idx[j]];
-	sort_vals[idx[j]] = sort_vals[idx[i]];
-	sort_vals[idx[i]] = _td;
-
-	int _tt = idx[i];
-	idx[i] = idx[j];
-	idx[j] = _tt;
-	
-	nswaps++;
-      }
-    }
-
-    // sort values
-    gsw.Stop();
-    std::cout << GridLogMessage << "Sorted eigenspace in place in " << gsw.Elapsed() << " using " << nswaps << " swaps" << std::endl;
-  }
-
-  void sortInPlace(std::vector<RealD>& sort_vals, bool reverse) {
-
-    std::vector<int> idx = getIndex(sort_vals);
-    if (reverse)
-      std::reverse(idx.begin(), idx.end());
-
-    reorderInPlace(sort_vals,idx);
-
-  }
-
-  void deflate(const std::vector<RealD>& eval,const Field& src_orig,Field& result) {
-    result = zero;
-    int N = (int)_v.size();
-    for (int i=0;i<N;i++) {
-      Field& tmp = _v[i];
-      axpy(result,TensorRemove(innerProduct(tmp,src_orig)) / eval[i],tmp,result);
-    }
-  }
-
- }; 
-}

lib/algorithms/iterative/ConjugateGradient.h

@@ -78,12 +78,12 @@ class ConjugateGradient : public OperatorFunction<Field> {
     cp = a;
     ssq = norm2(src);
 
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient: guess " << guess << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient:   src " << ssq << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient:    mp " << d << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient:   mmp " << b << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient:  cp,r " << cp << std::endl;
-    std::cout << GridLogIterative << std::setprecision(4) << "ConjugateGradient:     p " << a << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient: guess " << guess << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:   src " << ssq << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:    mp " << d << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:   mmp " << b << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:  cp,r " << cp << std::endl;
+    std::cout << GridLogIterative << std::setprecision(8) << "ConjugateGradient:     p " << a << std::endl;
 
     RealD rsq = Tolerance * Tolerance * ssq;
 
@@ -92,7 +92,7 @@ class ConjugateGradient : public OperatorFunction<Field> {
       return;
     }
 
-    std::cout << GridLogIterative << std::setprecision(4)
+    std::cout << GridLogIterative << std::setprecision(8)
               << "ConjugateGradient: k=0 residual " << cp << " target " << rsq << std::endl;
 
     GridStopWatch LinalgTimer;

lib/algorithms/iterative/ConjugateGradientMixedPrec.h

@@ -60,7 +60,6 @@ namespace Grid {
     }
   
     void operator() (const FieldD &src_d_in, FieldD &sol_d){
-
       TotalInnerIterations = 0;
 	
       GridStopWatch TotalTimer;

lib/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -7,8 +7,9 @@
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung
-Author: Guido Cossu
+Author: paboyle <paboyle@ph.ed.ac.uk>
+Author: Chulwoo Jung <chulwoo@bnl.gov>
+Author: Christoph Lehner <clehner@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
@@ -27,125 +28,282 @@ Author: Guido Cossu
     See the full license in the file "LICENSE" in the top level distribution directory
     *************************************************************************************/
     /*  END LEGAL */
-#ifndef GRID_IRL_H
-#define GRID_IRL_H
+#ifndef GRID_BIRL_H
+#define GRID_BIRL_H
 
 #include <string.h> //memset
+//#include <zlib.h>
+#include <sys/stat.h>
 
-namespace Grid {
+namespace Grid { 
 
-  enum IRLdiagonalisation { 
-    IRLdiagonaliseWithDSTEGR,
-    IRLdiagonaliseWithQR,
-    IRLdiagonaliseWithEigen
-  };
-
-////////////////////////////////////////////////////////////////////////////////
-// Helper class for sorting the evalues AND evectors by Field
-// Use pointer swizzle on vectors
-////////////////////////////////////////////////////////////////////////////////
+  ////////////////////////////////////////////////////////
+  // Move following 100 LOC to lattice/Lattice_basis.h
+  ////////////////////////////////////////////////////////
 template<class Field>
-class SortEigen {
- private:
-  static bool less_lmd(RealD left,RealD right){
-    return left > right;
-  }  
-  static bool less_pair(std::pair<RealD,Field const*>& left,
-                        std::pair<RealD,Field const*>& right){
-    return left.first > (right.first);
-  }  
-  
- public:
-  void push(std::vector<RealD>& lmd,std::vector<Field>& evec,int N) {
-    
-    ////////////////////////////////////////////////////////////////////////
-    // PAB: FIXME: VERY VERY VERY wasteful: takes a copy of the entire vector set.
-    //    : The vector reorder should be done by pointer swizzle somehow
-    ////////////////////////////////////////////////////////////////////////
-    std::vector<Field> cpy(lmd.size(),evec[0]._grid);
-    for(int i=0;i<lmd.size();i++) cpy[i] = evec[i];
-    
-    std::vector<std::pair<RealD, Field const*> > emod(lmd.size());    
+void basisOrthogonalize(std::vector<Field> &basis,Field &w,int k) 
+{
+  for(int j=0; j<k; ++j){
+    auto ip = innerProduct(basis[j],w);
+    w = w - ip*basis[j];
+  }
+}
 
-    for(int i=0;i<lmd.size();++i)  emod[i] = std::pair<RealD,Field const*>(lmd[i],&cpy[i]);
-
-    partial_sort(emod.begin(),emod.begin()+N,emod.end(),less_pair);
-
-    typename std::vector<std::pair<RealD, Field const*> >::iterator it = emod.begin();
-    for(int i=0;i<N;++i){
-      lmd[i]=it->first;
-      evec[i]=*(it->second);
-      ++it;
+template<class Field>
+void basisRotate(std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j0, int j1, int k0,int k1,int Nm) 
+{
+  typedef typename Field::vector_object vobj;
+  GridBase* grid = basis[0]._grid;
+      
+  parallel_region
+  {
+    std::vector < vobj > B(Nm); // Thread private
+        
+    parallel_for_internal(int ss=0;ss < grid->oSites();ss++){
+      for(int j=j0; j<j1; ++j) B[j]=0.;
+      
+      for(int j=j0; j<j1; ++j){
+	for(int k=k0; k<k1; ++k){
+	  B[j] +=Qt(j,k) * basis[k]._odata[ss];
+	}
+      }
+      for(int j=j0; j<j1; ++j){
+	  basis[j]._odata[ss] = B[j];
+      }
     }
   }
-  void push(std::vector<RealD>& lmd,int N) {
-    std::partial_sort(lmd.begin(),lmd.begin()+N,lmd.end(),less_lmd);
+}
+
+// Extract a single rotated vector
+template<class Field>
+void basisRotateJ(Field &result,std::vector<Field> &basis,Eigen::MatrixXd& Qt,int j, int k0,int k1,int Nm) 
+{
+  typedef typename Field::vector_object vobj;
+  GridBase* grid = basis[0]._grid;
+
+  result.checkerboard = basis[0].checkerboard;
+  parallel_for(int ss=0;ss < grid->oSites();ss++){
+    vobj B = zero;
+    for(int k=k0; k<k1; ++k){
+      B +=Qt(j,k) * basis[k]._odata[ss];
+    }
+    result._odata[ss] = B;
   }
-  bool saturated(RealD lmd, RealD thrs) {
-    return fabs(lmd) > fabs(thrs);
+}
+
+template<class Field>
+void basisReorderInPlace(std::vector<Field> &_v,std::vector<RealD>& sort_vals, std::vector<int>& idx) 
+{
+  int vlen = idx.size();
+
+  assert(vlen>=1);
+  assert(vlen<=sort_vals.size());
+  assert(vlen<=_v.size());
+
+  for (size_t i=0;i<vlen;i++) {
+
+    if (idx[i] != i) {
+
+      //////////////////////////////////////
+      // idx[i] is a table of desired sources giving a permutation.
+      // Swap v[i] with v[idx[i]].
+      // Find  j>i for which _vnew[j] = _vold[i],
+      // track the move idx[j] => idx[i]
+      // track the move idx[i] => i
+      //////////////////////////////////////
+      size_t j;
+      for (j=i;j<idx.size();j++)
+	if (idx[j]==i)
+	  break;
+
+      assert(idx[i] > i);     assert(j!=idx.size());      assert(idx[j]==i);
+
+      std::swap(_v[i]._odata,_v[idx[i]]._odata); // should use vector move constructor, no data copy
+      std::swap(sort_vals[i],sort_vals[idx[i]]);
+
+      idx[j] = idx[i];
+      idx[i] = i;
+    }
   }
-};
+}
+
+inline std::vector<int> basisSortGetIndex(std::vector<RealD>& sort_vals) 
+{
+  std::vector<int> idx(sort_vals.size());
+  std::iota(idx.begin(), idx.end(), 0);
+
+  // sort indexes based on comparing values in v
+  std::sort(idx.begin(), idx.end(), [&sort_vals](int i1, int i2) {
+    return ::fabs(sort_vals[i1]) < ::fabs(sort_vals[i2]);
+  });
+  return idx;
+}
+
+template<class Field>
+void basisSortInPlace(std::vector<Field> & _v,std::vector<RealD>& sort_vals, bool reverse) 
+{
+  std::vector<int> idx = basisSortGetIndex(sort_vals);
+  if (reverse)
+    std::reverse(idx.begin(), idx.end());
+  
+  basisReorderInPlace(_v,sort_vals,idx);
+}
+
+// PAB: faster to compute the inner products first then fuse loops.
+// If performance critical can improve.
+template<class Field>
+void basisDeflate(const std::vector<Field> &_v,const std::vector<RealD>& eval,const Field& src_orig,Field& result) {
+  result = zero;
+  assert(_v.size()==eval.size());
+  int N = (int)_v.size();
+  for (int i=0;i<N;i++) {
+    Field& tmp = _v[i];
+    axpy(result,TensorRemove(innerProduct(tmp,src_orig)) / eval[i],tmp,result);
+  }
+}
 
 /////////////////////////////////////////////////////////////
 // Implicitly restarted lanczos
 /////////////////////////////////////////////////////////////
+template<class Field> class ImplicitlyRestartedLanczosTester 
+{
+ public:
+  virtual int TestConvergence(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox);
+  virtual int ReconstructEval(int j,RealD resid,Field &evec, RealD &eval,RealD evalMaxApprox);
+};
+
+enum IRLdiagonalisation { 
+  IRLdiagonaliseWithDSTEGR,
+  IRLdiagonaliseWithQR,
+  IRLdiagonaliseWithEigen
+};
+
+template<class Field> class ImplicitlyRestartedLanczosHermOpTester  : public ImplicitlyRestartedLanczosTester<Field>
+{
+ public:
+  LinearFunction<Field>       &_HermOpTest;
+  ImplicitlyRestartedLanczosHermOpTester(LinearFunction<Field> &HermOpTest) : _HermOpTest(HermOpTest)  {  };
+  int ReconstructEval(int j,RealD resid,Field &B, RealD &eval,RealD evalMaxApprox)
+  {
+    return TestConvergence(j,resid,B,eval,evalMaxApprox);
+  }
+  int TestConvergence(int j,RealD eresid,Field &B, RealD &eval,RealD evalMaxApprox)
+  {
+    Field v(B);
+    RealD eval_poly = eval;
+    // Apply operator
+    _HermOpTest(B,v);
+
+    RealD vnum = real(innerProduct(B,v)); // HermOp.
+    RealD vden = norm2(B);
+    RealD vv0  = norm2(v);
+    eval   = vnum/vden;
+    v -= eval*B;
+
+    RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
+
+    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
+	     <<std::endl;
+
+    int conv=0;
+    if( (vv<eresid*eresid) ) conv = 1;
+
+    return conv;
+  }
+};
+
 template<class Field> 
 class ImplicitlyRestartedLanczos {
-
-private:       
-
-  int MaxIter;   // Max iterations
-  int Nstop;     // Number of evecs checked for convergence
-  int Nk;        // Number of converged sought
-  int Nm;        // Nm -- total number of vectors
-  RealD eresid;
+ private:
+  const RealD small = 1.0e-8;
+  int MaxIter;
+  int MinRestart; // Minimum number of restarts; only check for convergence after
+  int Nstop;   // Number of evecs checked for convergence
+  int Nk;      // Number of converged sought
+  //  int Np;      // Np -- Number of spare vecs in krylov space //  == Nm - Nk
+  int Nm;      // Nm -- total number of vectors
   IRLdiagonalisation diagonalisation;
-  ////////////////////////////////////
+  int orth_period;
+    
+  RealD OrthoTime;
+  RealD eresid, betastp;
+  ////////////////////////////////
   // Embedded objects
-  ////////////////////////////////////
-           SortEigen<Field> _sort;
-  LinearOperatorBase<Field> &_Linop;
-    OperatorFunction<Field> &_poly;
-
+  ////////////////////////////////
+  LinearFunction<Field>       &_HermOp;
+  LinearFunction<Field>       &_HermOpTest;
+  ImplicitlyRestartedLanczosTester<Field> &_Tester;
+  // Default tester provided (we need a ref to something in default case)
+  ImplicitlyRestartedLanczosHermOpTester<Field> SimpleTester;
   /////////////////////////
   // Constructor
   /////////////////////////
+  
 public:       
- ImplicitlyRestartedLanczos(LinearOperatorBase<Field> &Linop, // op
-			    OperatorFunction<Field> & poly,   // polynomial
-			    int _Nstop, // really sought vecs
-			    int _Nk,    // sought vecs
-			    int _Nm,    // total vecs
-			    RealD _eresid, // resid in lmd deficit 
-			    int _MaxIter,  // Max iterations
-			    IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen ) :
-    _Linop(Linop),    _poly(poly),
-      Nstop(_Nstop), Nk(_Nk), Nm(_Nm),
-      eresid(_eresid),  MaxIter(_MaxIter),
-      diagonalisation(_diagonalisation)
-      { };
+  //////////////////////////////////////////////////////////////////
+  // PAB:
+  //////////////////////////////////////////////////////////////////
+  // Too many options  & knobs. Do we really need orth_period
+  // What is the theoretical basis & guarantees of betastp ?
+  // Nstop=Nk viable?
+  // MinRestart avoidable with new convergence test?
+  // Could cut to HermOp, HermOpTest, Tester, Nk, Nm, resid, maxiter (+diagonalisation)
+  // HermOpTest could be eliminated if we dropped the Power method for max eval.
+  // -- also: The eval, eval2, eval2_copy stuff is still unnecessarily unclear
+  //////////////////////////////////////////////////////////////////
+ ImplicitlyRestartedLanczos(LinearFunction<Field> & HermOp,
+			    LinearFunction<Field> & HermOpTest,
+			    ImplicitlyRestartedLanczosTester<Field> & Tester,
+			    int _Nstop, // sought vecs
+			    int _Nk, // sought vecs
+			    int _Nm, // spare vecs
+			    RealD _eresid, // resid in lmdue deficit 
+			    int _MaxIter, // Max iterations
+			    RealD _betastp=0.0, // if beta(k) < betastp: converged
+			    int _MinRestart=1, int _orth_period = 1,
+			    IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
+    SimpleTester(HermOpTest), _HermOp(HermOp),      _HermOpTest(HermOpTest), _Tester(Tester),
+    Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
+    eresid(_eresid),      betastp(_betastp),
+    MaxIter(_MaxIter)  ,      MinRestart(_MinRestart),
+    orth_period(_orth_period), diagonalisation(_diagonalisation)  { };
+
+    ImplicitlyRestartedLanczos(LinearFunction<Field> & HermOp,
+			       LinearFunction<Field> & HermOpTest,
+			       int _Nstop, // sought vecs
+			       int _Nk, // sought vecs
+			       int _Nm, // spare vecs
+			       RealD _eresid, // resid in lmdue deficit 
+			       int _MaxIter, // Max iterations
+			       RealD _betastp=0.0, // if beta(k) < betastp: converged
+			       int _MinRestart=1, int _orth_period = 1,
+			       IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen) :
+    SimpleTester(HermOpTest),  _HermOp(HermOp),      _HermOpTest(HermOpTest), _Tester(SimpleTester),
+    Nstop(_Nstop)  ,      Nk(_Nk),      Nm(_Nm),
+    eresid(_eresid),      betastp(_betastp),
+    MaxIter(_MaxIter)  ,      MinRestart(_MinRestart),
+    orth_period(_orth_period), diagonalisation(_diagonalisation)  { };
 
   ////////////////////////////////
   // Helpers
   ////////////////////////////////
-  static RealD normalise(Field& v) 
+  template<typename T>  static RealD normalise(T& v) 
   {
     RealD nn = norm2(v);
     nn = sqrt(nn);
     v = v * (1.0/nn);
     return nn;
   }
-  
-  void orthogonalize(Field& w, std::vector<Field>& evec, int k)
+
+  void orthogonalize(Field& w, std::vector<Field>& evec,int k)
   {
-    typedef typename Field::scalar_type MyComplex;
-    MyComplex ip;
-    
-    for(int j=0; j<k; ++j){
-      ip = innerProduct(evec[j],w); 
-      w = w - ip * evec[j];
-    }
+    OrthoTime-=usecond()/1e6;
+    basisOrthogonalize(evec,w,k);
     normalise(w);
+    OrthoTime+=usecond()/1e6;
   }
 
 /* Rudy Arthur's thesis pp.137
@@ -165,184 +323,234 @@ repeat
   →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
 until convergence
 */
-  void calc(std::vector<RealD>& eval,  std::vector<Field>& evec, const Field& src, int& Nconv)
+  void calc(std::vector<RealD>& eval, std::vector<Field>& evec,  const Field& src, int& Nconv, bool reverse=true)
   {
+    GridBase *grid = src._grid;
+    assert(grid == evec[0]._grid);
     
-    GridBase *grid = evec[0]._grid;
-    assert(grid == src._grid);
-    
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
-    std::cout << GridLogMessage <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 /  "<< MaxIter<< std::endl;
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
-    std::cout << GridLogMessage <<" -- seek   Nk    = " << Nk    <<" vectors"<< std::endl;
-    std::cout << GridLogMessage <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl;
-    std::cout << GridLogMessage <<" -- total  Nm    = " << Nm    <<" vectors"<< std::endl;
-    std::cout << GridLogMessage <<" -- size of eval = " << eval.size() << std::endl;
-    std::cout << GridLogMessage <<" -- size of evec = " << evec.size() << std::endl;
+    GridLogIRL.TimingMode(1);
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 /  "<< MaxIter<< std::endl;
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL <<" -- seek   Nk    = " << Nk    <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- total  Nm    = " << Nm    <<" vectors"<< std::endl;
+    std::cout << GridLogIRL <<" -- size of eval = " << eval.size() << std::endl;
+    std::cout << GridLogIRL <<" -- size of evec = " << evec.size() << std::endl;
     if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) {
-      std::cout << GridLogMessage << "Diagonalisation is DSTEGR "<<std::endl;
+      std::cout << GridLogIRL << "Diagonalisation is DSTEGR "<<std::endl;
     } else if ( diagonalisation == IRLdiagonaliseWithQR ) { 
-      std::cout << GridLogMessage << "Diagonalisation is QR "<<std::endl;
+      std::cout << GridLogIRL << "Diagonalisation is QR "<<std::endl;
     }  else if ( diagonalisation == IRLdiagonaliseWithEigen ) { 
-      std::cout << GridLogMessage << "Diagonalisation is Eigen "<<std::endl;
+      std::cout << GridLogIRL << "Diagonalisation is Eigen "<<std::endl;
     }
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+	
+    assert(Nm <= evec.size() && Nm <= eval.size());
     
-    assert(Nm == evec.size() && Nm == eval.size());
+    // quickly get an idea of the largest eigenvalue to more properly normalize the residuum
+    RealD evalMaxApprox = 0.0;
+    {
+      auto src_n = src;
+      auto tmp = src;
+      const int _MAX_ITER_IRL_MEVAPP_ = 50;
+      for (int i=0;i<_MAX_ITER_IRL_MEVAPP_;i++) {
+	_HermOpTest(src_n,tmp);
+	RealD vnum = real(innerProduct(src_n,tmp)); // HermOp.
+	RealD vden = norm2(src_n);
+	RealD na = vnum/vden;
+	if (fabs(evalMaxApprox/na - 1.0) < 0.05)
+	  i=_MAX_ITER_IRL_MEVAPP_;
+	evalMaxApprox = na;
+	std::cout << GridLogIRL << " Approximation of largest eigenvalue: " << evalMaxApprox << std::endl;
+	src_n = tmp;
+      }
+    }
 	
     std::vector<RealD> lme(Nm);  
     std::vector<RealD> lme2(Nm);
     std::vector<RealD> eval2(Nm);
+    std::vector<RealD> eval2_copy(Nm);
+    Eigen::MatrixXd Qt = Eigen::MatrixXd::Zero(Nm,Nm);
 
-    Eigen::MatrixXd    Qt = Eigen::MatrixXd::Zero(Nm,Nm);
-
-    std::vector<int>   Iconv(Nm);
-    std::vector<Field>  B(Nm,grid); // waste of space replicating
-    
     Field f(grid);
     Field v(grid);
-    
     int k1 = 1;
     int k2 = Nk;
-    
-    Nconv = 0;
-    
     RealD beta_k;
+
+    Nconv = 0;
   
     // Set initial vector
     evec[0] = src;
-    std::cout << GridLogMessage <<"norm2(src)= " << norm2(src)<<std::endl;
-    
     normalise(evec[0]);
-    std::cout << GridLogMessage <<"norm2(evec[0])= " << norm2(evec[0]) <<std::endl;
-    
+	
     // Initial Nk steps
+    OrthoTime=0.;
     for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
-    
+    std::cout<<GridLogIRL <<"Initial "<< Nk <<"steps done "<<std::endl;
+    std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
+
+    //////////////////////////////////
     // Restarting loop begins
+    //////////////////////////////////
     int iter;
     for(iter = 0; iter<MaxIter; ++iter){
       
+      OrthoTime=0.;
+
       std::cout<< GridLogMessage <<" **********************"<< std::endl;
       std::cout<< GridLogMessage <<" Restart iteration = "<< iter << std::endl;
       std::cout<< GridLogMessage <<" **********************"<< std::endl;
-      
+
+      std::cout<<GridLogIRL <<" running "<<Nm-Nk <<" steps: "<<std::endl;
       for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
-      
       f *= lme[Nm-1];
-      
+
+      std::cout<<GridLogIRL <<" "<<Nm-Nk <<" steps done "<<std::endl;
+      std::cout<<GridLogIRL <<"Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
+	  
+      //////////////////////////////////
       // getting eigenvalues
+      //////////////////////////////////
       for(int k=0; k<Nm; ++k){
 	eval2[k] = eval[k+k1-1];
 	lme2[k] = lme[k+k1-1];
       }
       Qt = Eigen::MatrixXd::Identity(Nm,Nm);
       diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
+      std::cout<<GridLogIRL <<" diagonalized "<<std::endl;
 
+      //////////////////////////////////
       // sorting
-      _sort.push(eval2,Nm);
-      
+      //////////////////////////////////
+      eval2_copy = eval2;
+      std::partial_sort(eval2.begin(),eval2.begin()+Nm,eval2.end(),std::greater<RealD>());
+      std::cout<<GridLogIRL <<" evals sorted "<<std::endl;
+      const int chunk=8;
+      for(int io=0; io<k2;io+=chunk){
+	std::cout<<GridLogIRL << "eval "<< std::setw(3) << io ;
+	for(int ii=0;ii<chunk;ii++){
+	  if ( (io+ii)<k2 )
+	    std::cout<< " "<< std::setw(12)<< eval2[io+ii];
+	}
+	std::cout << std::endl;
+      }
+
+      //////////////////////////////////
       // Implicitly shifted QR transformations
+      //////////////////////////////////
       Qt = Eigen::MatrixXd::Identity(Nm,Nm);
       for(int ip=k2; ip<Nm; ++ip){ 
-	// Eigen replacement for qr_decomp ???
-	qr_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
+	QR_decomp(eval,lme,Nm,Nm,Qt,eval2[ip],k1,Nm);
       }
-    
-      for(int i=0; i<(Nk+1); ++i) B[i] = 0.0;
-	  
-      for(int j=k1-1; j<k2+1; ++j){
-	for(int k=0; k<Nm; ++k){
-	  B[j].checkerboard = evec[k].checkerboard;
-	  B[j] += Qt(j,k) * evec[k];
-	}
-      }
-      for(int j=k1-1; j<k2+1; ++j) evec[j] = B[j];
+      std::cout<<GridLogIRL <<"QR decomposed "<<std::endl;
+
+      assert(k2<Nm);      assert(k2<Nm);      assert(k1>0);
+
+      basisRotate(evec,Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis
+      std::cout<<GridLogIRL <<"basisRotated  by Qt"<<std::endl;
       
+      ////////////////////////////////////////////////////
       // Compressed vector f and beta(k2)
+      ////////////////////////////////////////////////////
       f *= Qt(k2-1,Nm-1);
       f += lme[k2-1] * evec[k2];
       beta_k = norm2(f);
       beta_k = sqrt(beta_k);
-      std::cout<< GridLogMessage<<" beta(k) = "<<beta_k<<std::endl;
-      
+      std::cout<<GridLogIRL<<" beta(k) = "<<beta_k<<std::endl;
+	  
       RealD betar = 1.0/beta_k;
       evec[k2] = betar * f;
       lme[k2-1] = beta_k;
-      
+	  
+      ////////////////////////////////////////////////////
       // Convergence test
+      ////////////////////////////////////////////////////
       for(int k=0; k<Nm; ++k){    
 	eval2[k] = eval[k];
 	lme2[k] = lme[k];
       }
       Qt = Eigen::MatrixXd::Identity(Nm,Nm);
       diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
-      
-      for(int k = 0; k<Nk; ++k) B[k]=0.0;
-      
-      for(int j = 0; j<Nk; ++j){
-	for(int k = 0; k<Nk; ++k){
-	  B[j].checkerboard = evec[k].checkerboard;
-	  B[j] += Qt(j,k) * evec[k];
-	}
-      }
-
+      std::cout<<GridLogIRL <<" Diagonalized "<<std::endl;
+	  
       Nconv = 0;
-      for(int i=0; i<Nk; ++i){
-	
-	_Linop.HermOp(B[i],v);
-	    
-	RealD vnum = real(innerProduct(B[i],v)); // HermOp.
-	RealD vden = norm2(B[i]);
-	eval2[i] = vnum/vden;
-	v -= eval2[i]*B[i];
-	RealD vv = norm2(v);
-	
-	std::cout.precision(13);
-	std::cout << GridLogMessage << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
-	std::cout << "eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[i];
-	std::cout << " |H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
-	
-	// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
-	if((vv<eresid*eresid) && (i == Nconv) ){
-	  Iconv[Nconv] = i;
-	  ++Nconv;
-	}
-	
-      }  // i-loop end
-      
-      std::cout<< GridLogMessage <<" #modes converged: "<<Nconv<<std::endl;
+      if (iter >= MinRestart) {
 
-      if( Nconv>=Nstop ){
-	goto converged;
-      }
-    } // end of iter loop
-    
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
-    std::cout<< GridLogError    <<" ImplicitlyRestartedLanczos::calc() NOT converged.";
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+	std::cout << GridLogIRL << "Test convergence: rotate subset of vectors to test convergence " << std::endl;
+
+	Field B(grid); B.checkerboard = evec[0].checkerboard;
+
+	//  power of two search pattern;  not every evalue in eval2 is assessed.
+	for(int jj = 1; jj<=Nstop; jj*=2){
+	  int j = Nstop-jj;
+	  RealD e = eval2_copy[j]; // Discard the evalue
+	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
+	  if( _Tester.TestConvergence(j,eresid,B,e,evalMaxApprox) ) {
+	    if ( j > Nconv ) {
+	      Nconv=j+1;
+	      jj=Nstop; // Terminate the scan
+	    }
+	  }
+	}
+	// Do evec[0] for good measure
+	{ 
+	  int j=0;
+	  RealD e = eval2_copy[0]; 
+	  basisRotateJ(B,evec,Qt,j,0,Nk,Nm);	    
+	  _Tester.TestConvergence(j,eresid,B,e,evalMaxApprox);
+	}
+	// test if we converged, if so, terminate
+	std::cout<<GridLogIRL<<" #modes converged: >= "<<Nconv<<"/"<<Nstop<<std::endl;
+	//	if( Nconv>=Nstop || beta_k < betastp){
+	if( Nconv>=Nstop){
+	  goto converged;
+	}
+	  
+      } else {
+	std::cout << GridLogIRL << "iter < MinRestart: do not yet test for convergence\n";
+      } // end of iter loop
+    }
+
+    std::cout<<GridLogError<<"\n NOT converged.\n";
     abort();
 	
   converged:
-    // Sorting
-    eval.resize(Nconv);
-    evec.resize(Nconv,grid);
-    for(int i=0; i<Nconv; ++i){
-      eval[i] = eval2[Iconv[i]];
-      evec[i] = B[Iconv[i]];
+    {
+      Field B(grid); B.checkerboard = evec[0].checkerboard;
+      basisRotate(evec,Qt,0,Nk,0,Nk,Nm);	    
+      std::cout << GridLogIRL << " Rotated basis"<<std::endl;
+      Nconv=0;
+      //////////////////////////////////////////////////////////////////////
+      // Full final convergence test; unconditionally applied
+      //////////////////////////////////////////////////////////////////////
+      for(int j = 0; j<=Nk; j++){
+	B=evec[j];
+	if( _Tester.ReconstructEval(j,eresid,B,eval2[j],evalMaxApprox) ) {
+	  Nconv++;
+	}
+      }
+
+      if ( Nconv < Nstop )
+	std::cout << GridLogIRL << "Nconv ("<<Nconv<<") < Nstop ("<<Nstop<<")"<<std::endl;
+
+      eval=eval2;
+
+      basisSortInPlace(evec,eval,reverse);
+      
     }
-    _sort.push(eval,evec,Nconv);
-    
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
-    std::cout << GridLogMessage << "ImplicitlyRestartedLanczos CONVERGED ; Summary :\n";
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
-    std::cout << GridLogMessage << " -- Iterations  = "<< iter   << "\n";
-    std::cout << GridLogMessage << " -- beta(k)     = "<< beta_k << "\n";
-    std::cout << GridLogMessage << " -- Nconv       = "<< Nconv  << "\n";
-    std::cout << GridLogMessage <<"**************************************************************************"<< std::endl;
+       
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL << "ImplicitlyRestartedLanczos CONVERGED ; Summary :\n";
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
+    std::cout << GridLogIRL << " -- Iterations  = "<< iter   << "\n";
+    std::cout << GridLogIRL << " -- beta(k)     = "<< beta_k << "\n";
+    std::cout << GridLogIRL << " -- Nconv       = "<< Nconv  << "\n";
+    std::cout << GridLogIRL <<"**************************************************************************"<< std::endl;
   }
 
-private:
+ private:
 /* Saad PP. 195
 1. Choose an initial vector v1 of 2-norm unity. Set β1 ≡ 0, v0 ≡ 0
 2. For k = 1,2,...,m Do:
@@ -360,28 +568,38 @@ private:
   {
     const RealD tiny = 1.0e-20;
     assert( k< Nm );
-    
-    _poly(_Linop,evec[k],w);      // 3. wk:=Avk−βkv_{k−1}
-    
+
+    GridStopWatch gsw_op,gsw_o;
+
+    Field& evec_k = evec[k];
+
+    _HermOp(evec_k,w);    std::cout<<GridLogIRL << "Poly(HermOp)" <<std::endl;
+
     if(k>0) w -= lme[k-1] * evec[k-1];
-    
-    ComplexD zalph = innerProduct(evec[k],w); // 4. αk:=(wk,vk)
+
+    ComplexD zalph = innerProduct(evec_k,w); // 4. αk:=(wk,vk)
     RealD     alph = real(zalph);
-    
-    w = w - alph * evec[k];// 5. wk:=wk−αkvk
-    
+
+    w = w - alph * evec_k;// 5. wk:=wk−αkvk
+
     RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
     // 7. vk+1 := wk/βk+1
-    
+
     lmd[k] = alph;
     lme[k] = beta;
-    
-    if ( k > 0 ) orthogonalize(w,evec,k); // orthonormalise
-    if ( k < Nm-1) evec[k+1] = w;
-    
-    if ( beta < tiny ) std::cout << GridLogMessage << " beta is tiny "<<beta<<std::endl;
+
+    if (k>0 && k % orth_period == 0) {
+      orthogonalize(w,evec,k); // orthonormalise
+      std::cout<<GridLogIRL << "Orthogonalised " <<std::endl;
+    }
+
+    if(k < Nm-1) evec[k+1] = w;
+
+    std::cout<<GridLogIRL << "alpha[" << k << "] = " << zalph << " beta[" << k << "] = "<<beta<<std::endl;
+    if ( beta < tiny ) 
+      std::cout<<GridLogIRL << " beta is tiny "<<beta<<std::endl;
   }
-      
+
   void diagonalize_Eigen(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
 			 int Nk, int Nm,  
 			 Eigen::MatrixXd & Qt, // Nm x Nm
@@ -404,11 +622,11 @@ private:
       }
     }
   }
-  ///////////////////////////////////////////////////////////////////////////
-  // File could end here if settle on Eigen ???
-  ///////////////////////////////////////////////////////////////////////////
 
-  void qr_decomp(std::vector<RealD>& lmd,   // Nm 
+  ///////////////////////////////////////////////////////////////////////////
+  // File could end here if settle on Eigen ??? !!!
+  ///////////////////////////////////////////////////////////////////////////
+  void QR_decomp(std::vector<RealD>& lmd,   // Nm 
 		 std::vector<RealD>& lme,   // Nm 
 		 int Nk, int Nm,            // Nk, Nm
 		 Eigen::MatrixXd& Qt,       // Nm x Nm matrix
@@ -575,51 +793,50 @@ void diagonalize_lapack(std::vector<RealD>& lmd,
 #endif
 }
 
-  void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
-		      int Nk, int Nm,   
-		      Eigen::MatrixXd & Qt,
-		      GridBase *grid)
-  {
-    int Niter = 100*Nm;
-    int kmin = 1;
-    int kmax = Nk;
-
-    // (this should be more sophisticated)
-    for(int iter=0; iter<Niter; ++iter){
-      
-      // determination of 2x2 leading submatrix
-      RealD dsub = lmd[kmax-1]-lmd[kmax-2];
-      RealD dd = sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
-      RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
-      // (Dsh: shift)
-	
-      // transformation
-      qr_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax); // Nk, Nm
-	
-      // Convergence criterion (redef of kmin and kamx)
-      for(int j=kmax-1; j>= kmin; --j){
-	RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
-	if(fabs(lme[j-1])+dds > dds){
-	  kmax = j+1;
-	  goto continued;
-	}
-      }
-      Niter = iter;
-      return;
-
-    continued:
-      for(int j=0; j<kmax-1; ++j){
-	RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
-	if(fabs(lme[j])+dds > dds){
-	  kmin = j+1;
-	  break;
-	}
+void diagonalize_QR(std::vector<RealD>& lmd, std::vector<RealD>& lme, 
+		    int Nk, int Nm,   
+		    Eigen::MatrixXd & Qt,
+		    GridBase *grid)
+{
+  int QRiter = 100*Nm;
+  int kmin = 1;
+  int kmax = Nk;
+  
+  // (this should be more sophisticated)
+  for(int iter=0; iter<QRiter; ++iter){
+    
+    // determination of 2x2 leading submatrix
+    RealD dsub = lmd[kmax-1]-lmd[kmax-2];
+    RealD dd = sqrt(dsub*dsub + 4.0*lme[kmax-2]*lme[kmax-2]);
+    RealD Dsh = 0.5*(lmd[kmax-2]+lmd[kmax-1] +dd*(dsub/fabs(dsub)));
+    // (Dsh: shift)
+    
+    // transformation
+    QR_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax); // Nk, Nm
+    
+    // Convergence criterion (redef of kmin and kamx)
+    for(int j=kmax-1; j>= kmin; --j){
+      RealD dds = fabs(lmd[j-1])+fabs(lmd[j]);
+      if(fabs(lme[j-1])+dds > dds){
+	kmax = j+1;
+	goto continued;
+      }
+    }
+    QRiter = iter;
+    return;
+    
+  continued:
+    for(int j=0; j<kmax-1; ++j){
+      RealD dds = fabs(lmd[j])+fabs(lmd[j+1]);
+      if(fabs(lme[j])+dds > dds){
+	kmin = j+1;
+	break;
       }
     }
-    std::cout << GridLogError << "[QL method] Error - Too many iteration: "<<Niter<<"\n";
-    abort();
   }
-
- };
+  std::cout << GridLogError << "[QL method] Error - Too many iteration: "<<QRiter<<"\n";
+  abort();
+}
+};
 }
 #endif

lib/algorithms/iterative/LocalCoherenceLanczos.h

@@ -0,0 +1,352 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./lib/algorithms/iterative/LocalCoherenceLanczos.h
+
+    Copyright (C) 2015
+
+Author: Christoph Lehner <clehner@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 */
+#ifndef GRID_LOCAL_COHERENCE_IRL_H
+#define GRID_LOCAL_COHERENCE_IRL_H
+namespace Grid { 
+struct LanczosParams : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
+				  ChebyParams, Cheby,/*Chebyshev*/
+				  int, Nstop,    /*Vecs in Lanczos must converge Nstop < Nk < Nm*/
+				  int, Nk,       /*Vecs in Lanczos seek converge*/
+				  int, Nm,       /*Total vecs in Lanczos include restart*/
+				  RealD, resid,  /*residual*/
+ 				  int, MaxIt, 
+				  RealD, betastp,  /* ? */
+				  int, MinRes);    // Must restart
+};
+
+struct LocalCoherenceLanczosParams : Serializable {
+ public:
+  GRID_SERIALIZABLE_CLASS_MEMBERS(LocalCoherenceLanczosParams,
+				  bool, doFine,
+				  bool, doFineRead,
+				  bool, doCoarse,
+	       			  bool, doCoarseRead,
+				  LanczosParams, FineParams,
+				  LanczosParams, CoarseParams,
+				  ChebyParams,   Smoother,
+				  RealD        , coarse_relax_tol,
+				  std::vector<int>, blockSize,
+				  std::string, config,
+				  std::vector < std::complex<double>  >, omega,
+				  RealD, mass,
+				  RealD, M5);
+};
+
+// Duplicate functionality; ProjectedFunctionHermOp could be used with the trivial function
+template<class Fobj,class CComplex,int nbasis>
+class ProjectedHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+
+  ProjectedHermOp(LinearOperatorBase<FineField>& linop,  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
+    _Linop(linop),
+    _Aggregate(aggregate)  {  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+
+    GridBase *FineGrid = _Aggregate.FineGrid;
+    FineField fin(FineGrid);
+    FineField fout(FineGrid);
+
+    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedHermop : Promote to fine"<<std::endl;
+    _Linop.HermOp(fin,fout);                   std::cout<<GridLogIRL<<"ProjectedHermop : HermOp (fine) "<<std::endl;
+    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ProjectedFunctionHermOp : public LinearFunction<Lattice<iVector<CComplex,nbasis > > > {
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+
+  OperatorFunction<FineField>   & _poly;
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+
+  ProjectedFunctionHermOp(OperatorFunction<FineField> & poly,LinearOperatorBase<FineField>& linop, 
+			  Aggregation<Fobj,CComplex,nbasis> &aggregate) : 
+    _poly(poly),
+    _Linop(linop),
+    _Aggregate(aggregate)  {  };
+
+  void operator()(const CoarseField& in, CoarseField& out) {
+
+    GridBase *FineGrid = _Aggregate.FineGrid;
+
+    FineField fin(FineGrid) ;fin.checkerboard  =_Aggregate.checkerboard;
+    FineField fout(FineGrid);fout.checkerboard =_Aggregate.checkerboard;
+    
+    _Aggregate.PromoteFromSubspace(in,fin);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Promote to fine"<<std::endl;
+    _poly(_Linop,fin,fout);                    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Poly "<<std::endl;
+    _Aggregate.ProjectToSubspace(out,fout);    std::cout<<GridLogIRL<<"ProjectedFunctionHermop : Project to coarse "<<std::endl;
+  }
+};
+
+template<class Fobj,class CComplex,int nbasis>
+class ImplicitlyRestartedLanczosSmoothedTester  : public ImplicitlyRestartedLanczosTester<Lattice<iVector<CComplex,nbasis > > >
+{
+ public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LinearFunction<CoarseField> & _Poly;
+  OperatorFunction<FineField>   & _smoother;
+  LinearOperatorBase<FineField> &_Linop;
+  Aggregation<Fobj,CComplex,nbasis> &_Aggregate;
+  RealD                             _coarse_relax_tol;
+  ImplicitlyRestartedLanczosSmoothedTester(LinearFunction<CoarseField>   &Poly,
+					   OperatorFunction<FineField>   &smoother,
+					   LinearOperatorBase<FineField> &Linop,
+					   Aggregation<Fobj,CComplex,nbasis> &Aggregate,
+					   RealD coarse_relax_tol=5.0e3) 
+    : _smoother(smoother), _Linop(Linop),_Aggregate(Aggregate), _Poly(Poly), _coarse_relax_tol(coarse_relax_tol)  {    };
+
+  int TestConvergence(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+  {
+    CoarseField v(B);
+    RealD eval_poly = eval;
+    // Apply operator
+    _Poly(B,v);
+
+    RealD vnum = real(innerProduct(B,v)); // HermOp.
+    RealD vden = norm2(B);
+    RealD vv0  = norm2(v);
+    eval   = vnum/vden;
+    v -= eval*B;
+
+    RealD vv = norm2(v) / ::pow(evalMaxApprox,2.0);
+
+    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
+	     <<std::endl;
+
+    int conv=0;
+    if( (vv<eresid*eresid) ) conv = 1;
+    return conv;
+  }
+  int ReconstructEval(int j,RealD eresid,CoarseField &B, RealD &eval,RealD evalMaxApprox)
+  {
+    GridBase *FineGrid = _Aggregate.FineGrid;
+
+    int checkerboard   = _Aggregate.checkerboard;
+
+    FineField fB(FineGrid);fB.checkerboard =checkerboard;
+    FineField fv(FineGrid);fv.checkerboard =checkerboard;
+
+    _Aggregate.PromoteFromSubspace(B,fv);
+    _smoother(_Linop,fv,fB); 
+
+    RealD eval_poly = eval;
+    _Linop.HermOp(fB,fv);
+
+    RealD vnum = real(innerProduct(fB,fv)); // HermOp.
+    RealD vden = norm2(fB);
+    RealD vv0  = norm2(fv);
+    eval   = vnum/vden;
+    fv -= eval*fB;
+    RealD vv = norm2(fv) / ::pow(evalMaxApprox,2.0);
+
+    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
+	     <<std::endl;
+    if ( j > nbasis ) eresid = eresid*_coarse_relax_tol;
+    if( (vv<eresid*eresid) ) return 1;
+    return 0;
+  }
+};
+
+////////////////////////////////////////////
+// Make serializable Lanczos params
+////////////////////////////////////////////
+template<class Fobj,class CComplex,int nbasis>
+class LocalCoherenceLanczos 
+{
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CComplex>                   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<Fobj>                       FineField;
+
+protected:
+  GridBase *_CoarseGrid;
+  GridBase *_FineGrid;
+  int _checkerboard;
+  LinearOperatorBase<FineField>                 & _FineOp;
+  
+  // FIXME replace Aggregation with vector of fine; the code reuse is too small for
+  // the hassle and complexity of cross coupling.
+  Aggregation<Fobj,CComplex,nbasis>               _Aggregate;  
+  std::vector<RealD>                              evals_fine;
+  std::vector<RealD>                              evals_coarse; 
+  std::vector<CoarseField>                        evec_coarse;
+public:
+  LocalCoherenceLanczos(GridBase *FineGrid,
+		GridBase *CoarseGrid,
+		LinearOperatorBase<FineField> &FineOp,
+		int checkerboard) :
+    _CoarseGrid(CoarseGrid),
+    _FineGrid(FineGrid),
+    _Aggregate(CoarseGrid,FineGrid,checkerboard),
+    _FineOp(FineOp),
+    _checkerboard(checkerboard)
+  {
+    evals_fine.resize(0);
+    evals_coarse.resize(0);
+  };
+  void Orthogonalise(void ) { _Aggregate.Orthogonalise(); }
+
+  template<typename T>  static RealD normalise(T& v) 
+  {
+    RealD nn = norm2(v);
+    nn = ::sqrt(nn);
+    v = v * (1.0/nn);
+    return nn;
+  }
+
+  void fakeFine(void)
+  {
+    int Nk = nbasis;
+    _Aggregate.subspace.resize(Nk,_FineGrid);
+    _Aggregate.subspace[0]=1.0;
+    _Aggregate.subspace[0].checkerboard=_checkerboard;
+    normalise(_Aggregate.subspace[0]);
+    PlainHermOp<FineField>    Op(_FineOp);
+    for(int k=1;k<Nk;k++){
+      _Aggregate.subspace[k].checkerboard=_checkerboard;
+      Op(_Aggregate.subspace[k-1],_Aggregate.subspace[k]);
+      normalise(_Aggregate.subspace[k]);
+    }
+  }
+
+  void testFine(RealD resid) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(_Aggregate.subspace.size() == nbasis);
+    PlainHermOp<FineField>    Op(_FineOp);
+    ImplicitlyRestartedLanczosHermOpTester<FineField> SimpleTester(Op);
+    for(int k=0;k<nbasis;k++){
+      assert(SimpleTester.ReconstructEval(k,resid,_Aggregate.subspace[k],evals_fine[k],1.0)==1);
+    }
+  }
+
+  void testCoarse(RealD resid,ChebyParams cheby_smooth,RealD relax) 
+  {
+    assert(evals_fine.size() == nbasis);
+    assert(_Aggregate.subspace.size() == nbasis);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    Chebyshev<FineField>                          ChebySmooth(cheby_smooth);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (ChebySmooth,_FineOp,_Aggregate);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+
+    for(int k=0;k<evec_coarse.size();k++){
+      if ( k < nbasis ) { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid,evec_coarse[k],evals_coarse[k],1.0)==1);
+      } else { 
+	assert(ChebySmoothTester.ReconstructEval(k,resid*relax,evec_coarse[k],evals_coarse[k],1.0)==1);
+      }
+    }
+  }
+
+  void calcFine(ChebyParams cheby_parms,int Nstop,int Nk,int Nm,RealD resid, 
+		RealD MaxIt, RealD betastp, int MinRes)
+  {
+    assert(nbasis<=Nm);
+    Chebyshev<FineField>      Cheby(cheby_parms);
+    FunctionHermOp<FineField> ChebyOp(Cheby,_FineOp);
+    PlainHermOp<FineField>    Op(_FineOp);
+
+    evals_fine.resize(Nm);
+    _Aggregate.subspace.resize(Nm,_FineGrid);
+
+    ImplicitlyRestartedLanczos<FineField> IRL(ChebyOp,Op,Nstop,Nk,Nm,resid,MaxIt,betastp,MinRes);
+
+    FineField src(_FineGrid); src=1.0; src.checkerboard = _checkerboard;
+
+    int Nconv;
+    IRL.calc(evals_fine,_Aggregate.subspace,src,Nconv,false);
+    
+    // Shrink down to number saved
+    assert(Nstop>=nbasis);
+    assert(Nconv>=nbasis);
+    evals_fine.resize(nbasis);
+    _Aggregate.subspace.resize(nbasis,_FineGrid);
+  }
+  void calcCoarse(ChebyParams cheby_op,ChebyParams cheby_smooth,RealD relax,
+		  int Nstop, int Nk, int Nm,RealD resid, 
+		  RealD MaxIt, RealD betastp, int MinRes)
+  {
+    Chebyshev<FineField>                          Cheby(cheby_op);
+    ProjectedHermOp<Fobj,CComplex,nbasis>         Op(_FineOp,_Aggregate);
+    ProjectedFunctionHermOp<Fobj,CComplex,nbasis> ChebyOp (Cheby,_FineOp,_Aggregate);
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+    // create a smoother and see if we can get a cheap convergence test and smooth inside the IRL
+    //////////////////////////////////////////////////////////////////////////////////////////////////
+
+    Chebyshev<FineField>                                           ChebySmooth(cheby_smooth);
+    ImplicitlyRestartedLanczosSmoothedTester<Fobj,CComplex,nbasis> ChebySmoothTester(ChebyOp,ChebySmooth,_FineOp,_Aggregate,relax);
+
+    evals_coarse.resize(Nm);
+    evec_coarse.resize(Nm,_CoarseGrid);
+
+    CoarseField src(_CoarseGrid);     src=1.0; 
+
+    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);
+    assert(Nconv>=Nstop);
+    evals_coarse.resize(Nstop);
+    evec_coarse.resize (Nstop,_CoarseGrid);
+    for (int i=0;i<Nstop;i++){
+      std::cout << i << " Coarse eval = " << evals_coarse[i]  << std::endl;
+    }
+  }
+};
+
+}
+#endif

lib/algorithms/iterative/SchurRedBlack.h

@@ -7,7 +7,6 @@
     Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@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
@@ -165,82 +164,7 @@ namespace Grid {
       std::cout<<GridLogMessage << "SchurRedBlackStaggered solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
     }     
   };
-//  template<class Field> using SchurRedBlackStagSolve = SchurRedBlackStaggeredSolve<Field>;
-  template<class Field> class SchurRedBlackStagSolve {
-  private:
-    OperatorFunction<Field> & _HermitianRBSolver;
-    int CBfactorise;
-  public:
-
-    /////////////////////////////////////////////////////
-    // Wrap the usual normal equations Schur trick
-    /////////////////////////////////////////////////////
-  SchurRedBlackStagSolve(OperatorFunction<Field> &HermitianRBSolver, int cb)  :
-     _HermitianRBSolver(HermitianRBSolver), CBfactorise(cb) {}
-
-    template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
-
-      // FIXME CGdiagonalMee not implemented virtual function
-      // FIXME use CBfactorise to control schur decomp
-      GridBase *grid = _Matrix.RedBlackGrid();
-      GridBase *fgrid= _Matrix.Grid();
-
-      SchurStagOperator<Matrix,Field> _HermOpEO(_Matrix);
-      int Schur = CBfactorise;
-      int Other = 1 - CBfactorise;
- 
-      Field src_e(grid);
-      Field src_o(grid);
-      Field sol_e(grid);
-      Field sol_o(grid);
-      Field   tmp(grid);
-      Field  Mtmp(grid);
-      Field resid(fgrid);
-
-      pickCheckerboard(Other,src_e,in);
-      pickCheckerboard(Schur ,src_o,in);
-      pickCheckerboard(Other,sol_e,out);
-      pickCheckerboard(Schur ,sol_o,out);
-    
-      /////////////////////////////////////////////////////
-      // src_o = Mdag * (source_o - Moe MeeInv source_e)
-      /////////////////////////////////////////////////////
-      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Other);
-      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Schur);     
-      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Schur);     
-
-#if 0
-      // get the right MpcDag
-//      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Schur);       
-#else
-      _Matrix.Mooee(tmp,src_o);     assert(src_o.checkerboard ==Schur);
-#endif
-      //////////////////////////////////////////////////////////////
-      // Call the red-black solver
-      //////////////////////////////////////////////////////////////
-      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
-      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Schur);
-
-      ///////////////////////////////////////////////////
-      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
-      ///////////////////////////////////////////////////
-      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Other);
-      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Other);
-      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Other);
-     
-      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Other);
-      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Schur );
-
-      // Verify the unprec residual
-      _Matrix.M(out,resid); 
-      resid = resid-in;
-      RealD ns = norm2(in);
-      RealD nr = norm2(resid);
-
-      std::cout<<GridLogMessage << "SchurRedBlackStag solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
-    }     
-  };
+  template<class Field> using SchurRedBlackStagSolve = SchurRedBlackStaggeredSolve<Field>;
 
   ///////////////////////////////////////////////////////////////////////////////////////////////////////
   // Take a matrix and form a Red Black solver calling a Herm solver
@@ -479,77 +403,5 @@ namespace Grid {
     }     
   };
 
-  template<class Field> class SchurRedBlackStagMixed {
-  private:
-    LinearFunction<Field> & _HermitianRBSolver;
-    int CBfactorise;
-  public:
-
-    /////////////////////////////////////////////////////
-    // Wrap the usual normal equations Schur trick
-    /////////////////////////////////////////////////////
-  SchurRedBlackStagMixed(LinearFunction<Field> &HermitianRBSolver, int cb)  :
-     _HermitianRBSolver(HermitianRBSolver), CBfactorise(cb) {}
-
-    template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
-
-      // FIXME CGdiagonalMee not implemented virtual function
-      // FIXME use CBfactorise to control schur decomp
-      GridBase *grid = _Matrix.RedBlackGrid();
-      GridBase *fgrid= _Matrix.Grid();
-
-      SchurStagOperator<Matrix,Field> _HermOpEO(_Matrix);
-      int Schur = CBfactorise;
-      int Other = 1 - CBfactorise;
- 
-      Field src_e(grid);
-      Field src_o(grid);
-      Field sol_e(grid);
-      Field sol_o(grid);
-      Field   tmp(grid);
-      Field  Mtmp(grid);
-      Field resid(fgrid);
-
-      pickCheckerboard(Other,src_e,in);
-      pickCheckerboard(Schur ,src_o,in);
-      pickCheckerboard(Other,sol_e,out);
-      pickCheckerboard(Schur ,sol_o,out);
-    
-      /////////////////////////////////////////////////////
-      // src_o = Mdag * (source_o - Moe MeeInv source_e)
-      /////////////////////////////////////////////////////
-      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Other);
-      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Schur);     
-      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Schur);     
-
-      _Matrix.Mooee(tmp,src_o);     assert(src_o.checkerboard ==Schur);
-      //////////////////////////////////////////////////////////////
-      // Call the red-black solver
-      //////////////////////////////////////////////////////////////
-      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
-//      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Schur);
-      _HermitianRBSolver(src_o,sol_o);  assert(sol_o.checkerboard==Other);
-
-      ///////////////////////////////////////////////////
-      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
-      ///////////////////////////////////////////////////
-      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Other);
-      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Other);
-      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Other);
-     
-      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Other);
-      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Schur );
-
-      // Verify the unprec residual
-      _Matrix.M(out,resid); 
-      resid = resid-in;
-      RealD ns = norm2(in);
-      RealD nr = norm2(resid);
-
-      std::cout<<GridLogMessage << "SchurRedBlackStag solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
-    }     
-  };
-
 }
 #endif

lib/algorithms/iterative/SimpleLanczos.h

@@ -1,933 +0,0 @@
-    /*************************************************************************************
-
-    Grid physics library, www.github.com/paboyle/Grid 
-
-    Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
-
-    Copyright (C) 2015
-
-Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@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_LANC_H
-#define GRID_LANC_H
-
-#include <string.h>		//memset
-
-#ifdef USE_LAPACK
-#ifdef USE_MKL
-#include<mkl_lapack.h>
-#else
-void LAPACK_dstegr (char *jobz, char *range, int *n, double *d, double *e,
-		    double *vl, double *vu, int *il, int *iu, double *abstol,
-		    int *m, double *w, double *z, int *ldz, int *isuppz,
-		    double *work, int *lwork, int *iwork, int *liwork,
-		    int *info);
-//#include <lapacke/lapacke.h>
-#endif
-#endif
-
-#include <Grid/algorithms/densematrix/DenseMatrix.h>
-//#include <Grid/algorithms/iterative/EigenSort.h>
-
-// eliminate temorary vector in calc()
-#define MEM_SAVE
-
-namespace Grid
-{
-
-  struct Bisection
-  {
-
-#if 0
-    static void get_eig2 (int row_num, std::vector < RealD > &ALPHA,
-			  std::vector < RealD > &BETA,
-			  std::vector < RealD > &eig)
-    {
-      int i, j;
-        std::vector < RealD > evec1 (row_num + 3);
-        std::vector < RealD > evec2 (row_num + 3);
-      RealD eps2;
-        ALPHA[1] = 0.;
-        BETHA[1] = 0.;
-      for (i = 0; i < row_num - 1; i++)
-	{
-	  ALPHA[i + 1] = A[i * (row_num + 1)].real ();
-	  BETHA[i + 2] = A[i * (row_num + 1) + 1].real ();
-	}
-      ALPHA[row_num] = A[(row_num - 1) * (row_num + 1)].real ();
-        bisec (ALPHA, BETHA, row_num, 1, row_num, 1e-10, 1e-10, evec1, eps2);
-        bisec (ALPHA, BETHA, row_num, 1, row_num, 1e-16, 1e-16, evec2, eps2);
-
-      // Do we really need to sort here?
-      int begin = 1;
-      int end = row_num;
-      int swapped = 1;
-      while (swapped)
-	{
-	  swapped = 0;
-	  for (i = begin; i < end; i++)
-	    {
-	      if (mag (evec2[i]) > mag (evec2[i + 1]))
-		{
-		  swap (evec2 + i, evec2 + i + 1);
-		  swapped = 1;
-		}
-	    }
-	  end--;
-	  for (i = end - 1; i >= begin; i--)
-	    {
-	      if (mag (evec2[i]) > mag (evec2[i + 1]))
-		{
-		  swap (evec2 + i, evec2 + i + 1);
-		  swapped = 1;
-		}
-	    }
-	  begin++;
-	}
-
-      for (i = 0; i < row_num; i++)
-	{
-	  for (j = 0; j < row_num; j++)
-	    {
-	      if (i == j)
-		H[i * row_num + j] = evec2[i + 1];
-	      else
-		H[i * row_num + j] = 0.;
-	    }
-	}
-    }
-#endif
-
-    static void bisec (std::vector < RealD > &c,
-		       std::vector < RealD > &b,
-		       int n,
-		       int m1,
-		       int m2,
-		       RealD eps1,
-		       RealD relfeh, std::vector < RealD > &x, RealD & eps2)
-    {
-      std::vector < RealD > wu (n + 2);
-
-      RealD h, q, x1, xu, x0, xmin, xmax;
-      int i, a, k;
-
-      b[1] = 0.0;
-      xmin = c[n] - fabs (b[n]);
-      xmax = c[n] + fabs (b[n]);
-      for (i = 1; i < n; i++)
-	{
-	  h = fabs (b[i]) + fabs (b[i + 1]);
-	  if (c[i] + h > xmax)
-	    xmax = c[i] + h;
-	  if (c[i] - h < xmin)
-	    xmin = c[i] - h;
-	}
-      xmax *= 2.;
-
-      eps2 = relfeh * ((xmin + xmax) > 0.0 ? xmax : -xmin);
-      if (eps1 <= 0.0)
-	eps1 = eps2;
-      eps2 = 0.5 * eps1 + 7.0 * (eps2);
-      x0 = xmax;
-      for (i = m1; i <= m2; i++)
-	{
-	  x[i] = xmax;
-	  wu[i] = xmin;
-	}
-
-      for (k = m2; k >= m1; k--)
-	{
-	  xu = xmin;
-	  i = k;
-	  do
-	    {
-	      if (xu < wu[i])
-		{
-		  xu = wu[i];
-		  i = m1 - 1;
-		}
-	      i--;
-	    }
-	  while (i >= m1);
-	  if (x0 > x[k])
-	    x0 = x[k];
-	  while ((x0 - xu) > 2 * relfeh * (fabs (xu) + fabs (x0)) + eps1)
-	    {
-	      x1 = (xu + x0) / 2;
-
-	      a = 0;
-	      q = 1.0;
-	      for (i = 1; i <= n; i++)
-		{
-		  q =
-		    c[i] - x1 -
-		    ((q != 0.0) ? b[i] * b[i] / q : fabs (b[i]) / relfeh);
-		  if (q < 0)
-		    a++;
-		}
-//      printf("x1=%0.14e a=%d\n",x1,a);
-	      if (a < k)
-		{
-		  if (a < m1)
-		    {
-		      xu = x1;
-		      wu[m1] = x1;
-		    }
-		  else
-		    {
-		      xu = x1;
-		      wu[a + 1] = x1;
-		      if (x[a] > x1)
-			x[a] = x1;
-		    }
-		}
-	      else
-		x0 = x1;
-	    }
-	  printf ("x0=%0.14e xu=%0.14e k=%d\n", x0, xu, k);
-	  x[k] = (x0 + xu) / 2;
-	}
-    }
-  };
-
-/////////////////////////////////////////////////////////////
-// Implicitly restarted lanczos
-/////////////////////////////////////////////////////////////
-
-
-  template < class Field > class SimpleLanczos
-  {
-
-    const RealD small = 1.0e-16;
-  public:
-    int lock;
-    int get;
-    int Niter;
-    int converged;
-
-    int Nstop;			// Number of evecs checked for convergence
-    int Nk;			// Number of converged sought
-    int Np;			// Np -- Number of spare vecs in kryloc space
-    int Nm;			// Nm -- total number of vectors
-
-
-    RealD OrthoTime;
-
-    RealD eresid;
-
-    SortEigen < Field > _sort;
-
-    LinearOperatorBase < Field > &_Linop;
-
-    OperatorFunction < Field > &_poly;
-
-    /////////////////////////
-    // Constructor
-    /////////////////////////
-    void init (void)
-    {
-    };
-    void Abort (int ff, DenseVector < RealD > &evals,
-		DenseVector < DenseVector < RealD > >&evecs);
-
-    SimpleLanczos (LinearOperatorBase < Field > &Linop,	// op
-		   OperatorFunction < Field > &poly,	// polynmial
-		   int _Nstop,	// sought vecs
-		   int _Nk,	// sought vecs
-		   int _Nm,	// spare vecs
-		   RealD _eresid,	// resid in lmdue deficit 
-		   int _Niter):	// Max iterations
-     
-      _Linop (Linop),
-      _poly (poly),
-      Nstop (_Nstop), Nk (_Nk), Nm (_Nm), eresid (_eresid), Niter (_Niter)
-    {
-      Np = Nm - Nk;
-      assert (Np > 0);
-    };
-
-    /////////////////////////
-    // Sanity checked this routine (step) against Saad.
-    /////////////////////////
-    void RitzMatrix (DenseVector < Field > &evec, int k)
-    {
-
-      if (1)
-	return;
-
-      GridBase *grid = evec[0]._grid;
-      Field w (grid);
-      std::cout << GridLogMessage << "RitzMatrix " << std::endl;
-      for (int i = 0; i < k; i++)
-	{
-	  _Linop.HermOp (evec[i], w);
-//      _poly(_Linop,evec[i],w);
-	  std::cout << GridLogMessage << "[" << i << "] ";
-	  for (int j = 0; j < k; j++)
-	    {
-	      ComplexD in = innerProduct (evec[j], w);
-	      if (fabs ((double) i - j) > 1)
-		{
-		  if (abs (in) > 1.0e-9)
-		    {
-		      std::cout << GridLogMessage << "oops" << std::endl;
-		      abort ();
-		    }
-		  else
-		    std::cout << GridLogMessage << " 0 ";
-		}
-	      else
-		{
-		  std::cout << GridLogMessage << " " << in << " ";
-		}
-	    }
-	  std::cout << GridLogMessage << std::endl;
-	}
-    }
-
-    void step (DenseVector < RealD > &lmd,
-	       DenseVector < RealD > &lme,
-	       Field & last, Field & current, Field & next, uint64_t k)
-    {
-      if (lmd.size () <= k)
-	lmd.resize (k + Nm);
-      if (lme.size () <= k)
-	lme.resize (k + Nm);
-
-
-//      _poly(_Linop,current,next );   // 3. wk:=Avk−βkv_{k−1}
-      _Linop.HermOp (current, next);	// 3. wk:=Avk−βkv_{k−1}
-      if (k > 0)
-	{
-	  next -= lme[k - 1] * last;
-	}
-//      std::cout<<GridLogMessage << "<last|next>" << innerProduct(last,next) <<std::endl;
-
-      ComplexD zalph = innerProduct (current, next);	// 4. αk:=(wk,vk)
-      RealD alph = real (zalph);
-
-      next = next - alph * current;	// 5. wk:=wk−αkvk
-//      std::cout<<GridLogMessage << "<current|next>" << innerProduct(current,next) <<std::endl;
-
-      RealD beta = normalise (next);	// 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
-      // 7. vk+1 := wk/βk+1
-//       norm=beta;
-
-      int interval = Nm / 100 + 1;
-      if ((k % interval) == 0)
-	std::
-	  cout << GridLogMessage << k << " : alpha = " << zalph << " beta " <<
-	  beta << std::endl;
-      const RealD tiny = 1.0e-20;
-      if (beta < tiny)
-	{
-	  std::cout << GridLogMessage << " beta is tiny " << beta << std::
-	    endl;
-	}
-      lmd[k] = alph;
-      lme[k] = beta;
-
-    }
-
-    void qr_decomp (DenseVector < RealD > &lmd,
-		    DenseVector < RealD > &lme,
-		    int Nk,
-		    int Nm,
-		    DenseVector < RealD > &Qt, RealD Dsh, int kmin, int kmax)
-    {
-      int k = kmin - 1;
-      RealD x;
-
-      RealD Fden = 1.0 / hypot (lmd[k] - Dsh, lme[k]);
-      RealD c = (lmd[k] - Dsh) * Fden;
-      RealD s = -lme[k] * Fden;
-
-      RealD tmpa1 = lmd[k];
-      RealD tmpa2 = lmd[k + 1];
-      RealD tmpb = lme[k];
-
-      lmd[k] = c * c * tmpa1 + s * s * tmpa2 - 2.0 * c * s * tmpb;
-      lmd[k + 1] = s * s * tmpa1 + c * c * tmpa2 + 2.0 * c * s * tmpb;
-      lme[k] = c * s * (tmpa1 - tmpa2) + (c * c - s * s) * tmpb;
-      x = -s * lme[k + 1];
-      lme[k + 1] = c * lme[k + 1];
-
-      for (int i = 0; i < Nk; ++i)
-	{
-	  RealD Qtmp1 = Qt[i + Nm * k];
-	  RealD Qtmp2 = Qt[i + Nm * (k + 1)];
-	  Qt[i + Nm * k] = c * Qtmp1 - s * Qtmp2;
-	  Qt[i + Nm * (k + 1)] = s * Qtmp1 + c * Qtmp2;
-	}
-
-      // Givens transformations
-      for (int k = kmin; k < kmax - 1; ++k)
-	{
-
-	  RealD Fden = 1.0 / hypot (x, lme[k - 1]);
-	  RealD c = lme[k - 1] * Fden;
-	  RealD s = -x * Fden;
-
-	  RealD tmpa1 = lmd[k];
-	  RealD tmpa2 = lmd[k + 1];
-	  RealD tmpb = lme[k];
-
-	  lmd[k] = c * c * tmpa1 + s * s * tmpa2 - 2.0 * c * s * tmpb;
-	  lmd[k + 1] = s * s * tmpa1 + c * c * tmpa2 + 2.0 * c * s * tmpb;
-	  lme[k] = c * s * (tmpa1 - tmpa2) + (c * c - s * s) * tmpb;
-	  lme[k - 1] = c * lme[k - 1] - s * x;
-
-	  if (k != kmax - 2)
-	    {
-	      x = -s * lme[k + 1];
-	      lme[k + 1] = c * lme[k + 1];
-	    }
-
-	  for (int i = 0; i < Nk; ++i)
-	    {
-	      RealD Qtmp1 = Qt[i + Nm * k];
-	      RealD Qtmp2 = Qt[i + Nm * (k + 1)];
-	      Qt[i + Nm * k] = c * Qtmp1 - s * Qtmp2;
-	      Qt[i + Nm * (k + 1)] = s * Qtmp1 + c * Qtmp2;
-	    }
-	}
-    }
-
-#ifdef USE_LAPACK
-#ifdef USE_MKL
-#define LAPACK_INT MKL_INT
-#else
-#define LAPACK_INT long long
-#endif
-    void diagonalize_lapack (DenseVector < RealD > &lmd, DenseVector < RealD > &lme, int N1,	// all
-			     int N2,	// get
-			     GridBase * grid)
-    {
-      const int size = Nm;
-      LAPACK_INT NN = N1;
-      double evals_tmp[NN];
-      double DD[NN];
-      double EE[NN];
-      for (int i = 0; i < NN; i++)
-	for (int j = i - 1; j <= i + 1; j++)
-	  if (j < NN && j >= 0)
-	    {
-	      if (i == j)
-		DD[i] = lmd[i];
-	      if (i == j)
-		evals_tmp[i] = lmd[i];
-	      if (j == (i - 1))
-		EE[j] = lme[j];
-	    }
-      LAPACK_INT evals_found;
-      LAPACK_INT lwork =
-	((18 * NN) >
-	 (1 + 4 * NN + NN * NN) ? (18 * NN) : (1 + 4 * NN + NN * NN));
-      LAPACK_INT liwork = 3 + NN * 10;
-      LAPACK_INT iwork[liwork];
-      double work[lwork];
-      LAPACK_INT isuppz[2 * NN];
-      char jobz = 'N';		// calculate evals only
-      char range = 'I';		// calculate il-th to iu-th evals
-      //    char range = 'A'; // calculate all evals
-      char uplo = 'U';		// refer to upper half of original matrix
-      char compz = 'I';		// Compute eigenvectors of tridiagonal matrix
-      int ifail[NN];
-      LAPACK_INT info;
-//  int total = QMP_get_number_of_nodes();
-//  int node = QMP_get_node_number();
-//  GridBase *grid = evec[0]._grid;
-      int total = grid->_Nprocessors;
-      int node = grid->_processor;
-      int interval = (NN / total) + 1;
-      double vl = 0.0, vu = 0.0;
-      LAPACK_INT il = interval * node + 1, iu = interval * (node + 1);
-      if (iu > NN)
-	iu = NN;
-      double tol = 0.0;
-      if (1)
-	{
-	  memset (evals_tmp, 0, sizeof (double) * NN);
-	  if (il <= NN)
-	    {
-	      printf ("total=%d node=%d il=%d iu=%d\n", total, node, il, iu);
-#ifdef USE_MKL
-	      dstegr (&jobz, &range, &NN,
-#else
-	      LAPACK_dstegr (&jobz, &range, &NN,
-#endif
-			     (double *) DD, (double *) EE, &vl, &vu, &il, &iu,	// these four are ignored if second parameteris 'A'
-			     &tol,	// tolerance
-			     &evals_found, evals_tmp, (double *) NULL, &NN,
-			     isuppz, work, &lwork, iwork, &liwork, &info);
-	      for (int i = iu - 1; i >= il - 1; i--)
-		{
-		  printf ("node=%d evals_found=%d evals_tmp[%d] = %g\n", node,
-			  evals_found, i - (il - 1), evals_tmp[i - (il - 1)]);
-		  evals_tmp[i] = evals_tmp[i - (il - 1)];
-		  if (il > 1)
-		    evals_tmp[i - (il - 1)] = 0.;
-		}
-	    }
-	  {
-	    grid->GlobalSumVector (evals_tmp, NN);
-	  }
-	}
-// cheating a bit. It is better to sort instead of just reversing it, but the document of the routine says evals are sorted in increasing order. qr gives evals in decreasing order.
-    }
-#undef LAPACK_INT
-#endif
-
-
-    void diagonalize (DenseVector < RealD > &lmd,
-		      DenseVector < RealD > &lme,
-		      int N2, int N1, GridBase * grid)
-    {
-
-#ifdef USE_LAPACK
-      const int check_lapack = 0;	// just use lapack if 0, check against lapack if 1
-
-      if (!check_lapack)
-	return diagonalize_lapack (lmd, lme, N2, N1, grid);
-
-//      diagonalize_lapack(lmd2,lme2,Nm2,Nm,Qt,grid);
-#endif
-    }
-
-#if 1
-    static RealD normalise (Field & v)
-    {
-      RealD nn = norm2 (v);
-      nn = sqrt (nn);
-      v = v * (1.0 / nn);
-      return nn;
-    }
-
-    void orthogonalize (Field & w, DenseVector < Field > &evec, int k)
-    {
-      double t0 = -usecond () / 1e6;
-      typedef typename Field::scalar_type MyComplex;
-      MyComplex ip;
-
-      if (0)
-	{
-	  for (int j = 0; j < k; ++j)
-	    {
-	      normalise (evec[j]);
-	      for (int i = 0; i < j; i++)
-		{
-		  ip = innerProduct (evec[i], evec[j]);	// are the evecs normalised? ; this assumes so.
-		  evec[j] = evec[j] - ip * evec[i];
-		}
-	    }
-	}
-
-      for (int j = 0; j < k; ++j)
-	{
-	  ip = innerProduct (evec[j], w);	// are the evecs normalised? ; this assumes so.
-	  w = w - ip * evec[j];
-	}
-      normalise (w);
-      t0 += usecond () / 1e6;
-      OrthoTime += t0;
-    }
-
-    void setUnit_Qt (int Nm, DenseVector < RealD > &Qt)
-    {
-      for (int i = 0; i < Qt.size (); ++i)
-	Qt[i] = 0.0;
-      for (int k = 0; k < Nm; ++k)
-	Qt[k + k * Nm] = 1.0;
-    }
-
-
-    void calc (DenseVector < RealD > &eval, const Field & src, int &Nconv)
-    {
-
-      GridBase *grid = src._grid;
-//      assert(grid == src._grid);
-
-      std::
-	cout << GridLogMessage << " -- Nk = " << Nk << " Np = " << Np << std::
-	endl;
-      std::cout << GridLogMessage << " -- Nm = " << Nm << std::endl;
-      std::cout << GridLogMessage << " -- size of eval   = " << eval.
-	size () << std::endl;
-
-//      assert(c.size() && Nm == eval.size());
-
-      DenseVector < RealD > lme (Nm);
-      DenseVector < RealD > lmd (Nm);
-
-
-      Field current (grid);
-      Field last (grid);
-      Field next (grid);
-
-      Nconv = 0;
-
-      RealD beta_k;
-
-      // Set initial vector
-      // (uniform vector) Why not src??
-      //      evec[0] = 1.0;
-      current = src;
-      std::cout << GridLogMessage << "norm2(src)= " << norm2 (src) << std::
-	endl;
-      normalise (current);
-      std::
-	cout << GridLogMessage << "norm2(evec[0])= " << norm2 (current) <<
-	std::endl;
-
-      // Initial Nk steps
-      OrthoTime = 0.;
-      double t0 = usecond () / 1e6;
-      RealD norm;		// sqrt norm of last vector
-
-      uint64_t iter = 0;
-
-      bool initted = false;
-      std::vector < RealD > low (Nstop * 10);
-      std::vector < RealD > high (Nstop * 10);
-      RealD cont = 0.;
-      while (1) {
-	  cont = 0.;
-	  std::vector < RealD > lme2 (Nm);
-	  std::vector < RealD > lmd2 (Nm);
-	  for (uint64_t k = 0; k < Nm; ++k, iter++) {
-	      step (lmd, lme, last, current, next, iter);
-	      last = current;
-	      current = next;
-	    }
-	  double t1 = usecond () / 1e6;
-	  std::cout << GridLogMessage << "IRL::Initial steps: " << t1 -
-	    t0 << "seconds" << std::endl;
-	  t0 = t1;
-	  std::
-	    cout << GridLogMessage << "IRL::Initial steps:OrthoTime " <<
-	    OrthoTime << "seconds" << std::endl;
-
-	  // getting eigenvalues
-	  lmd2.resize (iter + 2);
-	  lme2.resize (iter + 2);
-	  for (uint64_t k = 0; k < iter; ++k) {
-	      lmd2[k + 1] = lmd[k];
-	      lme2[k + 2] = lme[k];
-	    }
-	  t1 = usecond () / 1e6;
-	  std::cout << GridLogMessage << "IRL:: copy: " << t1 -
-	    t0 << "seconds" << std::endl;
-	  t0 = t1;
-	  {
-	    int total = grid->_Nprocessors;
-	    int node = grid->_processor;
-	    int interval = (Nstop / total) + 1;
-	    int iu = (iter + 1) - (interval * node + 1);
-	    int il = (iter + 1) - (interval * (node + 1));
-	    std::vector < RealD > eval2 (iter + 3);
-	    RealD eps2;
-	    Bisection::bisec (lmd2, lme2, iter, il, iu, 1e-16, 1e-10, eval2,
-			      eps2);
-//        diagonalize(eval2,lme2,iter,Nk,grid);
-	    RealD diff = 0.;
-	    for (int i = il; i <= iu; i++) {
-		if (initted)
-		  diff =
-		    fabs (eval2[i] - high[iu-i]) / (fabs (eval2[i]) +
-						      fabs (high[iu-i]));
-		if (initted && (diff > eresid))
-		  cont = 1.;
-		if (initted)
-		  printf ("eval[%d]=%0.14e %0.14e, %0.14e\n", i, eval2[i],
-			  high[iu-i], diff);
-		high[iu-i] = eval2[i];
-	      }
-	    il = (interval * node + 1);
-	    iu = (interval * (node + 1));
-	    Bisection::bisec (lmd2, lme2, iter, il, iu, 1e-16, 1e-10, eval2,
-			      eps2);
-	    for (int i = il; i <= iu; i++) {
-		if (initted)
-		  diff =
-		    fabs (eval2[i] - low[i]) / (fabs (eval2[i]) +
-						fabs (low[i]));
-		if (initted && (diff > eresid))
-		  cont = 1.;
-		if (initted)
-		  printf ("eval[%d]=%0.14e %0.14e, %0.14e\n", i, eval2[i],
-			  low[i], diff);
-		low[i] = eval2[i];
-	      }
-	    t1 = usecond () / 1e6;
-	    std::cout << GridLogMessage << "IRL:: diagonalize: " << t1 -
-	      t0 << "seconds" << std::endl;
-	    t0 = t1;
-	  }
-
-	  for (uint64_t k = 0; k < Nk; ++k) {
-//          eval[k] = eval2[k];
-	    }
-	  if (initted)
-	    {
-	      grid->GlobalSumVector (&cont, 1);
-	      if (cont < 1.) return;
-	    }
-	  initted = true;
-	}
-
-    }
-
-
-
-
-
-
-/**
-   There is some matrix Q such that for any vector y
-   Q.e_1 = y and Q is unitary.
-**/
-    template < class T >
-      static T orthQ (DenseMatrix < T > &Q, DenseVector < T > y)
-    {
-      int N = y.size ();	//Matrix Size
-      Fill (Q, 0.0);
-      T tau;
-      for (int i = 0; i < N; i++)
-	{
-	  Q[i][0] = y[i];
-	}
-      T sig = conj (y[0]) * y[0];
-      T tau0 = fabs (sqrt (sig));
-
-      for (int j = 1; j < N; j++)
-	{
-	  sig += conj (y[j]) * y[j];
-	  tau = abs (sqrt (sig));
-
-	  if (abs (tau0) > 0.0)
-	    {
-
-	      T gam = conj ((y[j] / tau) / tau0);
-	      for (int k = 0; k <= j - 1; k++)
-		{
-		  Q[k][j] = -gam * y[k];
-		}
-	      Q[j][j] = tau0 / tau;
-	    }
-	  else
-	    {
-	      Q[j - 1][j] = 1.0;
-	    }
-	  tau0 = tau;
-	}
-      return tau;
-    }
-
-/**
-	There is some matrix Q such that for any vector y
-	Q.e_k = y and Q is unitary.
-**/
-    template < class T >
-      static T orthU (DenseMatrix < T > &Q, DenseVector < T > y)
-    {
-      T tau = orthQ (Q, y);
-      SL (Q);
-      return tau;
-    }
-
-
-/**
-	Wind up with a matrix with the first con rows untouched
-
-say con = 2
-	Q is such that Qdag H Q has {x, x, val, 0, 0, 0, 0, ...} as 1st colum
-	and the matrix is upper hessenberg
-	and with f and Q appropriately modidied with Q is the arnoldi factorization
-
-**/
-
-    template < class T > static void Lock (DenseMatrix < T > &H,	///Hess mtx     
-					   DenseMatrix < T > &Q,	///Lock Transform
-					   T val,	///value to be locked
-					   int con,	///number already locked
-					   RealD small, int dfg, bool herm)
-    {
-      //ForceTridiagonal(H);
-
-      int M = H.dim;
-      DenseVector < T > vec;
-      Resize (vec, M - con);
-
-      DenseMatrix < T > AH;
-      Resize (AH, M - con, M - con);
-      AH = GetSubMtx (H, con, M, con, M);
-
-      DenseMatrix < T > QQ;
-      Resize (QQ, M - con, M - con);
-
-      Unity (Q);
-      Unity (QQ);
-
-      DenseVector < T > evals;
-      Resize (evals, M - con);
-      DenseMatrix < T > evecs;
-      Resize (evecs, M - con, M - con);
-
-      Wilkinson < T > (AH, evals, evecs, small);
-
-      int k = 0;
-      RealD cold = abs (val - evals[k]);
-      for (int i = 1; i < M - con; i++)
-	{
-	  RealD cnew = abs (val - evals[i]);
-	  if (cnew < cold)
-	    {
-	      k = i;
-	      cold = cnew;
-	    }
-	}
-      vec = evecs[k];
-
-      ComplexD tau;
-      orthQ (QQ, vec);
-      //orthQM(QQ,AH,vec);
-
-      AH = Hermitian (QQ) * AH;
-      AH = AH * QQ;
-
-      for (int i = con; i < M; i++)
-	{
-	  for (int j = con; j < M; j++)
-	    {
-	      Q[i][j] = QQ[i - con][j - con];
-	      H[i][j] = AH[i - con][j - con];
-	    }
-	}
-
-      for (int j = M - 1; j > con + 2; j--)
-	{
-
-	  DenseMatrix < T > U;
-	  Resize (U, j - 1 - con, j - 1 - con);
-	  DenseVector < T > z;
-	  Resize (z, j - 1 - con);
-	  T nm = norm (z);
-	  for (int k = con + 0; k < j - 1; k++)
-	    {
-	      z[k - con] = conj (H (j, k + 1));
-	    }
-	  normalise (z);
-
-	  RealD tmp = 0;
-	  for (int i = 0; i < z.size () - 1; i++)
-	    {
-	      tmp = tmp + abs (z[i]);
-	    }
-
-	  if (tmp < small / ((RealD) z.size () - 1.0))
-	    {
-	      continue;
-	    }
-
-	  tau = orthU (U, z);
-
-	  DenseMatrix < T > Hb;
-	  Resize (Hb, j - 1 - con, M);
-
-	  for (int a = 0; a < M; a++)
-	    {
-	      for (int b = 0; b < j - 1 - con; b++)
-		{
-		  T sum = 0;
-		  for (int c = 0; c < j - 1 - con; c++)
-		    {
-		      sum += H[a][con + 1 + c] * U[c][b];
-		    }		//sum += H(a,con+1+c)*U(c,b);}
-		  Hb[b][a] = sum;
-		}
-	    }
-
-	  for (int k = con + 1; k < j; k++)
-	    {
-	      for (int l = 0; l < M; l++)
-		{
-		  H[l][k] = Hb[k - 1 - con][l];
-		}
-	    }			//H(Hb[k-1-con][l] , l,k);}}
-
-	  DenseMatrix < T > Qb;
-	  Resize (Qb, M, M);
-
-	  for (int a = 0; a < M; a++)
-	    {
-	      for (int b = 0; b < j - 1 - con; b++)
-		{
-		  T sum = 0;
-		  for (int c = 0; c < j - 1 - con; c++)
-		    {
-		      sum += Q[a][con + 1 + c] * U[c][b];
-		    }		//sum += Q(a,con+1+c)*U(c,b);}
-		  Qb[b][a] = sum;
-		}
-	    }
-
-	  for (int k = con + 1; k < j; k++)
-	    {
-	      for (int l = 0; l < M; l++)
-		{
-		  Q[l][k] = Qb[k - 1 - con][l];
-		}
-	    }			//Q(Qb[k-1-con][l] , l,k);}}
-
-	  DenseMatrix < T > Hc;
-	  Resize (Hc, M, M);
-
-	  for (int a = 0; a < j - 1 - con; a++)
-	    {
-	      for (int b = 0; b < M; b++)
-		{
-		  T sum = 0;
-		  for (int c = 0; c < j - 1 - con; c++)
-		    {
-		      sum += conj (U[c][a]) * H[con + 1 + c][b];
-		    }		//sum += conj( U(c,a) )*H(con+1+c,b);}
-		  Hc[b][a] = sum;
-		}
-	    }
-
-	  for (int k = 0; k < M; k++)
-	    {
-	      for (int l = con + 1; l < j; l++)
-		{
-		  H[l][k] = Hc[k][l - 1 - con];
-		}
-	    }			//H(Hc[k][l-1-con] , l,k);}}
-
-	}
-    }
-#endif
-
-
-  };
-
-}
-#endif

lib/algorithms/iterative/bisec.c

@@ -1,122 +0,0 @@
-#include <math.h>
-#include <stdlib.h>
-#include <vector>
-
-struct Bisection {
-
-static void get_eig2(int row_num,std::vector<RealD> &ALPHA,std::vector<RealD> &BETA, std::vector<RealD> & eig)
-{
-  int i,j;
-  std::vector<RealD> evec1(row_num+3);
-  std::vector<RealD> evec2(row_num+3);
-  RealD eps2;
-  ALPHA[1]=0.;
-  BETHA[1]=0.;
-  for(i=0;i<row_num-1;i++) {
-    ALPHA[i+1] = A[i*(row_num+1)].real();
-    BETHA[i+2] = A[i*(row_num+1)+1].real();
-  }
-  ALPHA[row_num] = A[(row_num-1)*(row_num+1)].real();
-  bisec(ALPHA,BETHA,row_num,1,row_num,1e-10,1e-10,evec1,eps2);
-  bisec(ALPHA,BETHA,row_num,1,row_num,1e-16,1e-16,evec2,eps2);
-
-  // Do we really need to sort here?
-  int begin=1;
-  int end = row_num;
-  int swapped=1;
-  while(swapped) {
-    swapped=0;
-    for(i=begin;i<end;i++){
-      if(mag(evec2[i])>mag(evec2[i+1]))	{
-	swap(evec2+i,evec2+i+1);
-	swapped=1;
-      }
-    }
-    end--;
-    for(i=end-1;i>=begin;i--){
-      if(mag(evec2[i])>mag(evec2[i+1]))	{
-	swap(evec2+i,evec2+i+1);
-	swapped=1;
-      }
-    }
-    begin++;
-  }
-
-  for(i=0;i<row_num;i++){
-    for(j=0;j<row_num;j++) {
-      if(i==j) H[i*row_num+j]=evec2[i+1];
-      else H[i*row_num+j]=0.;
-    }
-  }
-}
-
-static void bisec(std::vector<RealD> &c,   
-		  std::vector<RealD> &b,
-		  int n,
-		  int m1,
-		  int m2,
-		  RealD eps1,
-		  RealD relfeh,
-		  std::vector<RealD> &x,
-		  RealD &eps2)
-{
-  std::vector<RealD> wu(n+2);
-
-  RealD h,q,x1,xu,x0,xmin,xmax; 
-  int i,a,k;
-
-  b[1]=0.0;
-  xmin=c[n]-fabs(b[n]);
-  xmax=c[n]+fabs(b[n]);
-  for(i=1;i<n;i++){
-    h=fabs(b[i])+fabs(b[i+1]);
-    if(c[i]+h>xmax) xmax= c[i]+h;
-    if(c[i]-h<xmin) xmin= c[i]-h;
-  }
-  xmax *=2.;
-
-  eps2=relfeh*((xmin+xmax)>0.0 ? xmax : -xmin);
-  if(eps1<=0.0) eps1=eps2;
-  eps2=0.5*eps1+7.0*(eps2);
-  x0=xmax;
-  for(i=m1;i<=m2;i++){
-    x[i]=xmax;
-    wu[i]=xmin;
-  }
-
-  for(k=m2;k>=m1;k--){
-    xu=xmin;
-    i=k;
-    do{
-      if(xu<wu[i]){
-	xu=wu[i];
-	i=m1-1;
-      }
-      i--;
-    }while(i>=m1);
-    if(x0>x[k]) x0=x[k];
-    while((x0-xu)>2*relfeh*(fabs(xu)+fabs(x0))+eps1){
-      x1=(xu+x0)/2;
-
-      a=0;
-      q=1.0;
-      for(i=1;i<=n;i++){
-	q=c[i]-x1-((q!=0.0)? b[i]*b[i]/q:fabs(b[i])/relfeh);
-	if(q<0) a++;
-      }
-      //			printf("x1=%e a=%d\n",x1,a);
-      if(a<k){
-	if(a<m1){
-	  xu=x1;
-	  wu[m1]=x1;
-	}else {
-	  xu=x1;
-	  wu[a+1]=x1;
-	  if(x[a]>x1) x[a]=x1;
-	}
-      }else x0=x1;
-    }
-    x[k]=(x0+xu)/2;
-  }
-}
-}

lib/cartesian/Cartesian_base.h

@@ -44,13 +44,18 @@ namespace Grid{
   class GridBase : public CartesianCommunicator , public GridThread {
 
 public:
-
+    int dummy;
     // Give Lattice access
     template<class object> friend class Lattice;
 
     GridBase(const std::vector<int> & processor_grid) : CartesianCommunicator(processor_grid) {};
     GridBase(const std::vector<int> & processor_grid,
-	     const CartesianCommunicator &parent) : CartesianCommunicator(processor_grid,parent) {};
+	     const CartesianCommunicator &parent,
+	     int &split_rank) 
+      : CartesianCommunicator(processor_grid,parent,split_rank) {};
+    GridBase(const std::vector<int> & processor_grid,
+	     const CartesianCommunicator &parent) 
+      : CartesianCommunicator(processor_grid,parent,dummy) {};
 
     virtual ~GridBase() = default;
 

lib/cartesian/Cartesian_full.h

@@ -38,7 +38,7 @@ namespace Grid{
 class GridCartesian: public GridBase {
 
 public:
-
+    int dummy;
     virtual int  CheckerBoardFromOindexTable (int Oindex) {
       return 0;
     }
@@ -67,7 +67,14 @@ public:
     GridCartesian(const std::vector<int> &dimensions,
 		  const std::vector<int> &simd_layout,
 		  const std::vector<int> &processor_grid,
-		  const GridCartesian &parent) : GridBase(processor_grid,parent)
+		  const GridCartesian &parent) : GridBase(processor_grid,parent,dummy)
+    {
+      Init(dimensions,simd_layout,processor_grid);
+    }
+    GridCartesian(const std::vector<int> &dimensions,
+		  const std::vector<int> &simd_layout,
+		  const std::vector<int> &processor_grid,
+		  const GridCartesian &parent,int &split_rank) : GridBase(processor_grid,parent,split_rank)
     {
       Init(dimensions,simd_layout,processor_grid);
     }

lib/cartesian/Cartesian_red_black.h

@@ -207,6 +207,7 @@ public:
         {
           assert((_gdimensions[d] & 0x1) == 0);
           _gdimensions[d] = _gdimensions[d] / 2; // Remove a checkerboard
+	  _gsites /= 2;
         }
         _ldimensions[d] = _gdimensions[d] / _processors[d];
         assert(_ldimensions[d] * _processors[d] == _gdimensions[d]);

lib/communicator/Communicator_base.cc

@@ -97,11 +97,12 @@ void CartesianCommunicator::GlobalSumVector(ComplexD *c,int N)
 }
 
 
-#if defined( GRID_COMMS_MPI) || defined (GRID_COMMS_MPIT)
+#if defined( GRID_COMMS_MPI) || defined (GRID_COMMS_MPIT) || defined (GRID_COMMS_MPI3)
 
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent) 
+CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank) 
 {
   _ndimension = processors.size();
+  assert(_ndimension = parent._ndimension);
   
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   // split the communicator
@@ -120,48 +121,54 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   std::vector<int> scoor(_ndimension); // coor of split within parent
   std::vector<int> ssize(_ndimension); // coor of split within parent
 
-  std::vector<int> pcoor(_ndimension,0); 
-  std::vector<int> pdims(_ndimension,1); 
-
-  if(parent._processors.size()==4 && _ndimension==5){
-      for(int i=0;i<4;i++) pcoor[i+1]=parent._processor_coor[i];
-      for(int i=0;i<4;i++) pdims[i+1]=parent._processors[i];
-  } else {
-      assert(_ndimension == parent._ndimension);
-      for(int i=0;i<_ndimension;i++) pcoor[i]=parent._processor_coor[i];
-      for(int i=0;i<_ndimension;i++) pdims[i]=parent._processors[i];
-  }
-
   for(int d=0;d<_ndimension;d++){
-    ccoor[d] = pcoor[d] % processors[d];
-    scoor[d] = pcoor[d] / processors[d];
-    ssize[d] = pdims[d] / processors[d];
+    ccoor[d] = parent._processor_coor[d] % processors[d];
+    scoor[d] = parent._processor_coor[d] / processors[d];
+    ssize[d] = parent._processors[d]     / processors[d];
   }
-  int crank,srank;  // rank within subcomm ; rank of subcomm within blocks of subcomms
-  Lexicographic::IndexFromCoor(ccoor,crank,processors);
-  Lexicographic::IndexFromCoor(scoor,srank,ssize);
+  int crank;  // rank within subcomm ; srank is rank of subcomm within blocks of subcomms
+  // Mpi uses the reverse Lexico convention to us
+  Lexicographic::IndexFromCoorReversed(ccoor,crank,processors);
+  Lexicographic::IndexFromCoorReversed(scoor,srank,ssize);
 
   MPI_Comm comm_split;
   if ( Nchild > 1 ) { 
 
-    //    std::cout << GridLogMessage<<"Child communicator of "<< std::hex << parent.communicator << std::dec<<std::endl;
-    //    std::cout << GridLogMessage<<" parent grid["<< parent._ndimension<<"]    ";
-    //    for(int d=0;d<parent._processors.size();d++)  std::cout << parent._processors[d] << " ";
-    //    std::cout<<std::endl;
+    /*
+    std::cout << GridLogMessage<<"Child communicator of "<< std::hex << parent.communicator << std::dec<<std::endl;
+    std::cout << GridLogMessage<<" parent grid["<< parent._ndimension<<"]    ";
+    for(int d=0;d<parent._processors.size();d++)  std::cout << parent._processors[d] << " ";
+    std::cout<<std::endl;
 
-    //    std::cout << GridLogMessage<<" child grid["<< _ndimension <<"]    ";
-    //    for(int d=0;d<processors.size();d++)  std::cout << processors[d] << " ";
-    //    std::cout<<std::endl;
+    std::cout << GridLogMessage<<" child grid["<< _ndimension <<"]    ";
+    for(int d=0;d<processors.size();d++)  std::cout << processors[d] << " ";
+    std::cout<<std::endl;
+
+    std::cout << GridLogMessage<<" old rank "<< parent._processor<<" coor ["<< _ndimension <<"]    ";
+    for(int d=0;d<processors.size();d++)  std::cout << parent._processor_coor[d] << " ";
+    std::cout<<std::endl;
+
+    std::cout << GridLogMessage<<" new rank "<< crank<<" coor ["<< _ndimension <<"]    ";
+    for(int d=0;d<processors.size();d++)  std::cout << ccoor[d] << " ";
+    std::cout<<std::endl;
+
+    std::cout << GridLogMessage<<" new coor ["<< _ndimension <<"]    ";
+    for(int d=0;d<processors.size();d++)  std::cout << parent._processor_coor[d] << " ";
+    std::cout<<std::endl;
+    */
 
     int ierr= MPI_Comm_split(parent.communicator,srank,crank,&comm_split);
     assert(ierr==0);
     //////////////////////////////////////////////////////////////////////////////////////////////////////
     // Declare victory
     //////////////////////////////////////////////////////////////////////////////////////////////////////
-    //    std::cout << GridLogMessage<<"Divided communicator "<< parent._Nprocessors<<" into "
-    // 	      << Nchild <<" communicators with " << childsize << " ranks"<<std::endl;
+    /*
+    std::cout << GridLogMessage<<"Divided communicator "<< parent._Nprocessors<<" into "
+	      << Nchild <<" communicators with " << childsize << " ranks"<<std::endl;
+    */
   } else {
     comm_split=parent.communicator;
+    srank = 0;
   }
 
   //////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -174,9 +181,6 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
 //////////////////////////////////////////////////////////////////////////////////////////////////////
 void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &processors, MPI_Comm communicator_base)
 {
-  //  if ( communicator_base != communicator_world ) {
-  //    std::cout << "Cartesian communicator created with a non-world communicator"<<std::endl;
-  //  }
   _ndimension = processors.size();
   _processor_coor.resize(_ndimension);
 
@@ -190,10 +194,20 @@ void CartesianCommunicator::InitFromMPICommunicator(const std::vector<int> &proc
   }
 
   std::vector<int> periodic(_ndimension,1);
-  MPI_Cart_create(communicator_base, _ndimension,&_processors[0],&periodic[0],1,&communicator);
+  MPI_Cart_create(communicator_base, _ndimension,&_processors[0],&periodic[0],0,&communicator);
   MPI_Comm_rank(communicator,&_processor);
   MPI_Cart_coords(communicator,_processor,_ndimension,&_processor_coor[0]);
 
+  if ( communicator_base != communicator_world ) {
+    std::cout << "Cartesian communicator created with a non-world communicator"<<std::endl;
+    
+    std::cout << " new communicator rank "<<_processor<< " coor ["<<_ndimension<<"] ";
+    for(int d=0;d<_processors.size();d++){
+      std::cout << _processor_coor[d]<<" ";
+    }
+    std::cout << std::endl;
+  }
+
   int Size;
   MPI_Comm_size(communicator,&Size);
 

lib/communicator/Communicator_base.h

@@ -153,7 +153,7 @@ class CartesianCommunicator {
   // Constructors to sub-divide a parent communicator
   // and default to comm world
   ////////////////////////////////////////////////
-  CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent);
+  CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank);
   CartesianCommunicator(const std::vector<int> &pdimensions_in);
   virtual ~CartesianCommunicator();
 

lib/communicator/Communicator_mpi.cc

@@ -205,7 +205,8 @@ void CartesianCommunicator::AllToAll(int dim,void  *in,void *out,uint64_t words,
   //  Split the communicator
   row[dim] = _processors[dim];
 
-  CartesianCommunicator Comm(row,*this);
+  int me;
+  CartesianCommunicator Comm(row,*this,me);
   Comm.AllToAll(in,out,words,bytes);
 }
 void CartesianCommunicator::AllToAll(void  *in,void *out,uint64_t words,uint64_t bytes)

lib/communicator/Communicator_none.cc

@@ -38,8 +38,8 @@ void CartesianCommunicator::Init(int *argc, char *** arv)
   ShmInitGeneric();
 }
 
-CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent) 
-  : CartesianCommunicator(processors) {}
+CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,const CartesianCommunicator &parent,int &srank) 
+  : CartesianCommunicator(processors) { srank=0;}
 
 CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors)
 {

lib/lattice/Lattice_transfer.h

@@ -109,8 +109,8 @@ inline void blockProject(Lattice<iVector<CComplex,nbasis > > &coarseData,
 
   coarseData=zero;
 
-  // Loop with a cache friendly loop ordering
-  for(int sf=0;sf<fine->oSites();sf++){
+  // Loop over coars parallel, and then loop over fine associated with coarse.
+  parallel_for(int sf=0;sf<fine->oSites();sf++){
 
     int sc;
     std::vector<int> coor_c(_ndimension);
@@ -119,8 +119,9 @@ inline void blockProject(Lattice<iVector<CComplex,nbasis > > &coarseData,
     for(int d=0;d<_ndimension;d++) coor_c[d]=coor_f[d]/block_r[d];
     Lexicographic::IndexFromCoor(coor_c,sc,coarse->_rdimensions);
 
+PARALLEL_CRITICAL
     for(int i=0;i<nbasis;i++) {
-      
+
       coarseData._odata[sc](i)=coarseData._odata[sc](i)
 	+ innerProduct(Basis[i]._odata[sf],fineData._odata[sf]);
 
@@ -139,6 +140,7 @@ inline void blockZAXPY(Lattice<vobj> &fineZ,
   GridBase * coarse= coarseA._grid;
 
   fineZ.checkerboard=fineX.checkerboard;
+  assert(fineX.checkerboard==fineY.checkerboard);
   subdivides(coarse,fine); // require they map
   conformable(fineX,fineY);
   conformable(fineX,fineZ);
@@ -180,9 +182,10 @@ template<class vobj,class CComplex>
   GridBase *coarse(CoarseInner._grid);
   GridBase *fine  (fineX._grid);
 
-  Lattice<dotp> fine_inner(fine);
+  Lattice<dotp> fine_inner(fine); fine_inner.checkerboard = fineX.checkerboard;
   Lattice<dotp> coarse_inner(coarse);
 
+  // Precision promotion?
   fine_inner = localInnerProduct(fineX,fineY);
   blockSum(coarse_inner,fine_inner);
   parallel_for(int ss=0;ss<coarse->oSites();ss++){
@@ -193,7 +196,7 @@ template<class vobj,class CComplex>
 inline void blockNormalise(Lattice<CComplex> &ip,Lattice<vobj> &fineX)
 {
   GridBase *coarse = ip._grid;
-  Lattice<vobj> zz(fineX._grid); zz=zero;
+  Lattice<vobj> zz(fineX._grid); zz=zero; zz.checkerboard=fineX.checkerboard;
   blockInnerProduct(ip,fineX,fineX);
   ip = pow(ip,-0.5);
   blockZAXPY(fineX,ip,fineX,zz);
@@ -216,19 +219,25 @@ inline void blockSum(Lattice<vobj> &coarseData,const Lattice<vobj> &fineData)
     block_r[d] = fine->_rdimensions[d] / coarse->_rdimensions[d];
   }
 
+  // Turn this around to loop threaded over sc and interior loop 
+  // over sf would thread better
   coarseData=zero;
-  for(int sf=0;sf<fine->oSites();sf++){
-    
+  parallel_region {
+
     int sc;
     std::vector<int> coor_c(_ndimension);
     std::vector<int> coor_f(_ndimension);
 
-    Lexicographic::CoorFromIndex(coor_f,sf,fine->_rdimensions);
-    for(int d=0;d<_ndimension;d++) coor_c[d]=coor_f[d]/block_r[d];
-    Lexicographic::IndexFromCoor(coor_c,sc,coarse->_rdimensions);
-
-    coarseData._odata[sc]=coarseData._odata[sc]+fineData._odata[sf];
+    parallel_for_internal(int sf=0;sf<fine->oSites();sf++){
+    
+      Lexicographic::CoorFromIndex(coor_f,sf,fine->_rdimensions);
+      for(int d=0;d<_ndimension;d++) coor_c[d]=coor_f[d]/block_r[d];
+      Lexicographic::IndexFromCoor(coor_c,sc,coarse->_rdimensions);
+      
+PARALLEL_CRITICAL
+      coarseData._odata[sc]=coarseData._odata[sc]+fineData._odata[sf];
 
+    }
   }
   return;
 }
@@ -238,7 +247,7 @@ inline void blockPick(GridBase *coarse,const Lattice<vobj> &unpicked,Lattice<vob
 {
   GridBase * fine = unpicked._grid;
 
-  Lattice<vobj> zz(fine);
+  Lattice<vobj> zz(fine); zz.checkerboard = unpicked.checkerboard;
   Lattice<iScalar<vInteger> > fcoor(fine);
 
   zz = zero;
@@ -303,20 +312,21 @@ inline void blockPromote(const Lattice<iVector<CComplex,nbasis > > &coarseData,
   }
 
   // Loop with a cache friendly loop ordering
-  for(int sf=0;sf<fine->oSites();sf++){
-
+  parallel_region {
     int sc;
     std::vector<int> coor_c(_ndimension);
     std::vector<int> coor_f(_ndimension);
 
-    Lexicographic::CoorFromIndex(coor_f,sf,fine->_rdimensions);
-    for(int d=0;d<_ndimension;d++) coor_c[d]=coor_f[d]/block_r[d];
-    Lexicographic::IndexFromCoor(coor_c,sc,coarse->_rdimensions);
-
-    for(int i=0;i<nbasis;i++) {
-      if(i==0) fineData._odata[sf]=coarseData._odata[sc](i) * Basis[i]._odata[sf];
-      else     fineData._odata[sf]=fineData._odata[sf]+coarseData._odata[sc](i)*Basis[i]._odata[sf];
+    parallel_for_internal(int sf=0;sf<fine->oSites();sf++){
 
+      Lexicographic::CoorFromIndex(coor_f,sf,fine->_rdimensions);
+      for(int d=0;d<_ndimension;d++) coor_c[d]=coor_f[d]/block_r[d];
+      Lexicographic::IndexFromCoor(coor_c,sc,coarse->_rdimensions);
+      
+      for(int i=0;i<nbasis;i++) {
+	if(i==0) fineData._odata[sf]=coarseData._odata[sc](i) * Basis[i]._odata[sf];
+	else     fineData._odata[sf]=fineData._odata[sf]+coarseData._odata[sc](i)*Basis[i]._odata[sf];
+      }
     }
   }
   return;
@@ -747,6 +757,7 @@ void precisionChange(Lattice<VobjOut> &out, const Lattice<VobjIn> &in){
 // NB: Easiest to programme if keep in lex order.
 //
 /////////////////////////////////////////////////////////
+
 template<class Vobj>
 void Grid_split(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
 {
@@ -795,6 +806,7 @@ void Grid_split(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
   std::vector<Sobj> tmpdata(sz);
   std::vector<Sobj> alldata(sz);
   std::vector<Sobj> scalardata(lsites); 
+
   for(int v=0;v<nvector;v++){
     unvectorizeToLexOrdArray(scalardata,full[v]);    
     parallel_for(int site=0;site<lsites;site++){
@@ -806,18 +818,23 @@ void Grid_split(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
   std::vector<int> ldims = full_grid->_ldimensions;
   std::vector<int> lcoor(ndim);
 
-  for(int d=0;d<ndim;d++){
+  for(int d=ndim-1;d>=0;d--){
 
     if ( ratio[d] != 1 ) {
 
       full_grid ->AllToAll(d,alldata,tmpdata);
-
+      //      std::cout << GridLogMessage << "Grid_split: dim " <<d<<" ratio "<<ratio[d]<<" nvec "<<nvec<<" procs "<<split_grid->_processors[d]<<std::endl;
+      //      for(int v=0;v<nvec;v++){
+      //	std::cout << "Grid_split: alldata["<<v<<"] " << alldata[v] <<std::endl;
+      //	std::cout << "Grid_split: tmpdata["<<v<<"] " << tmpdata[v] <<std::endl;
+      //      }
       //////////////////////////////////////////
       //Local volume for this dimension is expanded by ratio of processor extents
       // Number of vectors is decreased by same factor
       // Rearrange to lexico for bigger volume
       //////////////////////////////////////////
       nvec    /= ratio[d];
+
       auto rdims = ldims; rdims[d]  *=   ratio[d];
       auto rsites= lsites*ratio[d];
       for(int v=0;v<nvec;v++){
@@ -837,7 +854,9 @@ void Grid_split(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
 	    int rmul=nvec*lsites;
 	    int vmul=     lsites;
 	    alldata[rsite] = tmpdata[lsite+r*rmul+v*vmul];
-
+	    //	    if ( lsite==0 ) {
+	    //	      std::cout << "Grid_split: grow alldata["<<rsite<<"] " << alldata[rsite] << " <- tmpdata["<< lsite+r*rmul+v*vmul<<"] "<<tmpdata[lsite+r*rmul+v*vmul]  <<std::endl;
+	    //	    }	      
 	  }
 	}
       }
@@ -850,7 +869,6 @@ void Grid_split(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
       }
     }
   }
-
   vectorizeFromLexOrdArray(alldata,split);    
 }
 
@@ -926,10 +944,12 @@ void Grid_unsplit(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
   lsites = split_grid->lSites();
   std::vector<int> ldims = split_grid->_ldimensions;
 
-  for(int d=ndim-1;d>=0;d--){
+  //  for(int d=ndim-1;d>=0;d--){
+  for(int d=0;d<ndim;d++){
 
     if ( ratio[d] != 1 ) {
 
+
       if ( split_grid->_processors[d] > 1 ) {
 	tmpdata = alldata;
 	split_grid->AllToAll(d,tmpdata,alldata);
@@ -975,13 +995,11 @@ void Grid_unsplit(std::vector<Lattice<Vobj> > & full,Lattice<Vobj>   & split)
 
   lsites = full_grid->lSites();
   for(int v=0;v<nvector;v++){
+    assert(v<full.size());
     parallel_for(int site=0;site<lsites;site++){
       scalardata[site] = alldata[v*lsites+site];
     }
-    assert(v<full.size());
-
     vectorizeFromLexOrdArray(scalardata,full[v]);    
-
   }
 }
 

lib/log/Log.cc

@@ -50,7 +50,7 @@ namespace Grid {
     return (status==0) ? res.get() : name ;
   }
   
-GridStopWatch Logger::StopWatch;
+GridStopWatch Logger::GlobalStopWatch;
 int Logger::timestamp;
 std::ostream Logger::devnull(0);
 
@@ -59,13 +59,15 @@ void GridLogTimestamp(int on){
 }
 
 Colours GridLogColours(0);
-GridLogger GridLogError(1, "Error", GridLogColours, "RED");
+GridLogger GridLogIRL    (1, "IRL"   , GridLogColours, "NORMAL");
+GridLogger GridLogSolver (1, "Solver", GridLogColours, "NORMAL");
+GridLogger GridLogError  (1, "Error" , GridLogColours, "RED");
 GridLogger GridLogWarning(1, "Warning", GridLogColours, "YELLOW");
 GridLogger GridLogMessage(1, "Message", GridLogColours, "NORMAL");
-GridLogger GridLogDebug(1, "Debug", GridLogColours, "PURPLE");
+GridLogger GridLogDebug  (1, "Debug", GridLogColours, "PURPLE");
 GridLogger GridLogPerformance(1, "Performance", GridLogColours, "GREEN");
-GridLogger GridLogIterative(1, "Iterative", GridLogColours, "BLUE");
-GridLogger GridLogIntegrator(1, "Integrator", GridLogColours, "BLUE");
+GridLogger GridLogIterative  (1, "Iterative", GridLogColours, "BLUE");
+GridLogger GridLogIntegrator (1, "Integrator", GridLogColours, "BLUE");
 
 void GridLogConfigure(std::vector<std::string> &logstreams) {
   GridLogError.Active(0);

lib/log/Log.h

@@ -85,12 +85,15 @@ class Logger {
 protected:
   Colours &Painter;
   int active;
+  int timing_mode;
   static int timestamp;
   std::string name, topName;
   std::string COLOUR;
 
 public:
-  static GridStopWatch StopWatch;
+  static GridStopWatch GlobalStopWatch;
+  GridStopWatch         LocalStopWatch;
+  GridStopWatch *StopWatch;
   static std::ostream devnull;
 
   std::string background() {return Painter.colour["NORMAL"];}
@@ -101,22 +104,38 @@ public:
     name(nm),
     topName(topNm),
     Painter(col_class),
-    COLOUR(col) {} ;
+    timing_mode(0),
+    COLOUR(col) 
+    {
+      StopWatch = & GlobalStopWatch;
+    };
   
   void Active(int on) {active = on;};
   int  isActive(void) {return active;};
   static void Timestamp(int on) {timestamp = on;};
-  
+  void Reset(void) { 
+    StopWatch->Reset(); 
+    StopWatch->Start(); 
+  }
+  void TimingMode(int on) { 
+    timing_mode = on; 
+    if(on) { 
+      StopWatch = &LocalStopWatch;
+      Reset(); 
+    }
+  }
+
   friend std::ostream& operator<< (std::ostream& stream, Logger& log){
 
     if ( log.active ) {
-      stream << log.background()<< std::setw(8) << std::left << log.topName << log.background()<< " : ";
-      stream << log.colour() << std::setw(10) << std::left << log.name << log.background() << " : ";
+      stream << log.background()<<  std::left << log.topName << log.background()<< " : ";
+      stream << log.colour() <<  std::left << log.name << log.background() << " : ";
       if ( log.timestamp ) {
-	StopWatch.Stop();
-	GridTime now = StopWatch.Elapsed();
-	StopWatch.Start();
-	stream << log.evidence()<< now << log.background() << " : " ;
+	log.StopWatch->Stop();
+	GridTime now = log.StopWatch->Elapsed();
+	if ( log.timing_mode==1 ) log.StopWatch->Reset();
+	log.StopWatch->Start();
+	stream << log.evidence()<< std::setw(6)<<now << log.background() << " : " ;
       }
       stream << log.colour();
       return stream;
@@ -135,6 +154,8 @@ public:
 
 void GridLogConfigure(std::vector<std::string> &logstreams);
 
+extern GridLogger GridLogIRL;
+extern GridLogger GridLogSolver;
 extern GridLogger GridLogError;
 extern GridLogger GridLogWarning;
 extern GridLogger GridLogMessage;

lib/parallelIO/BinaryIO.h

@@ -261,7 +261,7 @@ class BinaryIO {
 			      GridBase *grid,
 			      std::vector<fobj> &iodata,
 			      std::string file,
-			      int offset,
+			      Integer offset,
 			      const std::string &format, int control,
 			      uint32_t &nersc_csum,
 			      uint32_t &scidac_csuma,
@@ -356,7 +356,7 @@ class BinaryIO {
 
       if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
 #ifdef USE_MPI_IO
-	std::cout<< GridLogMessage<< "MPI read I/O "<< file<< std::endl;
+	std::cout<< GridLogMessage<<"IOobject: MPI read I/O "<< file<< std::endl;
 	ierr=MPI_File_open(grid->communicator,(char *) file.c_str(), MPI_MODE_RDONLY, MPI_INFO_NULL, &fh);    assert(ierr==0);
 	ierr=MPI_File_set_view(fh, disp, mpiObject, fileArray, "native", MPI_INFO_NULL);    assert(ierr==0);
 	ierr=MPI_File_read_all(fh, &iodata[0], 1, localArray, &status);    assert(ierr==0);
@@ -367,7 +367,7 @@ class BinaryIO {
 	assert(0);
 #endif
       } else {
-        std::cout << GridLogMessage << "C++ read I/O " << file << " : "
+	std::cout << GridLogMessage <<"IOobject: C++ read I/O " << file << " : "
                   << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
         std::ifstream fin;
         fin.open(file, std::ios::binary | std::ios::in);
@@ -413,9 +413,9 @@ class BinaryIO {
       timer.Start();
       if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
 #ifdef USE_MPI_IO
-        std::cout << GridLogMessage << "MPI write I/O " << file << std::endl;
+        std::cout << GridLogMessage <<"IOobject: MPI write I/O " << file << std::endl;
         ierr = MPI_File_open(grid->communicator, (char *)file.c_str(), MPI_MODE_RDWR | MPI_MODE_CREATE, MPI_INFO_NULL, &fh);
-        std::cout << GridLogMessage << "Checking for errors" << std::endl;
+	//        std::cout << GridLogMessage << "Checking for errors" << std::endl;
         if (ierr != MPI_SUCCESS)
         {
           char error_string[BUFSIZ];
@@ -444,48 +444,56 @@ class BinaryIO {
 	assert(0);
 #endif
       } else { 
+
+        std::cout << GridLogMessage << "IOobject: C++ write I/O " << file << " : "
+                  << iodata.size() * sizeof(fobj) << " bytes" << std::endl;
         
 	std::ofstream fout; 
-  fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
-  try {
-    fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
-  } catch (const std::fstream::failure& exc) {
-    std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
-    std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
-    std::cout << GridLogError << "Probable cause: wrong path, inaccessible location "<< std::endl;
-    #ifdef USE_MPI_IO
-    MPI_Abort(MPI_COMM_WORLD,1);
-    #else
-    exit(1);
-    #endif
-  }
-	std::cout << GridLogMessage<< "C++ write I/O "<< file<<" : "
-		        << iodata.size()*sizeof(fobj)<<" bytes"<<std::endl;
-	
-  if ( control & BINARYIO_MASTER_APPEND )  {
-	  fout.seekp(0,fout.end);
-	} else {
-	  fout.seekp(offset+myrank*lsites*sizeof(fobj));
+	fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
+	try {
+	  fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
+	} catch (const std::fstream::failure& exc) {
+	  std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
+	  std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
+	  std::cout << GridLogError << "Probable cause: wrong path, inaccessible location "<< std::endl;
+#ifdef USE_MPI_IO
+	  MPI_Abort(MPI_COMM_WORLD,1);
+#else
+	  exit(1);
+#endif
+	}
+	
+	if ( control & BINARYIO_MASTER_APPEND )  {
+	  try {
+	    fout.seekp(0,fout.end);
+	  } catch (const std::fstream::failure& exc) {
+	    std::cout << "Exception in seeking file end " << file << std::endl;
+	  }
+	} else {
+	  try { 
+	    fout.seekp(offset+myrank*lsites*sizeof(fobj));
+	  } catch (const std::fstream::failure& exc) {
+	    std::cout << "Exception in seeking file " << file <<" offset "<< offset << std::endl;
+	  }
 	}
-  
-  try {
-  	fout.write((char *)&iodata[0],iodata.size()*sizeof(fobj));//assert( fout.fail()==0);
-  }
-  catch (const std::fstream::failure& exc) {
-    std::cout << "Exception in writing file " << file << std::endl;
-    std::cout << GridLogError << "Exception description: "<< exc.what() << std::endl;
-    #ifdef USE_MPI_IO
-    MPI_Abort(MPI_COMM_WORLD,1);
-    #else
-    exit(1);
-    #endif
-  }
 
+	try {
+	  fout.write((char *)&iodata[0],iodata.size()*sizeof(fobj));//assert( fout.fail()==0);
+	}
+	catch (const std::fstream::failure& exc) {
+	  std::cout << "Exception in writing file " << file << std::endl;
+	  std::cout << GridLogError << "Exception description: "<< exc.what() << std::endl;
+#ifdef USE_MPI_IO
+	  MPI_Abort(MPI_COMM_WORLD,1);
+#else
+	  exit(1);
+#endif
+	}
 	fout.close();
-  }
-  timer.Stop();
-  }
-
+      }
+      timer.Stop();
+    }
+    
     std::cout<<GridLogMessage<<"IOobject: ";
     if ( control & BINARYIO_READ) std::cout << " read  ";
     else                          std::cout << " write ";
@@ -515,7 +523,7 @@ class BinaryIO {
   static inline void readLatticeObject(Lattice<vobj> &Umu,
 				       std::string file,
 				       munger munge,
-				       int offset,
+				       Integer offset,
 				       const std::string &format,
 				       uint32_t &nersc_csum,
 				       uint32_t &scidac_csuma,
@@ -552,7 +560,7 @@ class BinaryIO {
     static inline void writeLatticeObject(Lattice<vobj> &Umu,
 					  std::string file,
 					  munger munge,
-					  int offset,
+					  Integer offset,
 					  const std::string &format,
 					  uint32_t &nersc_csum,
 					  uint32_t &scidac_csuma,
@@ -589,7 +597,7 @@ class BinaryIO {
   static inline void readRNG(GridSerialRNG &serial,
 			     GridParallelRNG &parallel,
 			     std::string file,
-			     int offset,
+			     Integer offset,
 			     uint32_t &nersc_csum,
 			     uint32_t &scidac_csuma,
 			     uint32_t &scidac_csumb)
@@ -651,7 +659,7 @@ class BinaryIO {
   static inline void writeRNG(GridSerialRNG &serial,
 			      GridParallelRNG &parallel,
 			      std::string file,
-			      int offset,
+			      Integer offset,
 			      uint32_t &nersc_csum,
 			      uint32_t &scidac_csuma,
 			      uint32_t &scidac_csumb)

lib/parallelIO/IldgIO.h

@@ -147,7 +147,7 @@ namespace QCD {
 
    _scidacRecord = sr;
 
-   std::cout << GridLogMessage << "Build SciDAC datatype " <<sr.datatype<<std::endl;
+   //   std::cout << GridLogMessage << "Build SciDAC datatype " <<sr.datatype<<std::endl;
  }
  
  ///////////////////////////////////////////////////////
@@ -159,7 +159,7 @@ namespace QCD {
    uint32_t scidac_checksumb = stoull(scidacChecksum_.sumb,0,16);
    if ( scidac_csuma !=scidac_checksuma) return 0;
    if ( scidac_csumb !=scidac_checksumb) return 0;
-    return 1;
+   return 1;
  }
 
 ////////////////////////////////////////////////////////////////////////////////////
@@ -224,7 +224,7 @@ class GridLimeReader : public BinaryIO {
 
 	assert(PayloadSize == file_bytes);// Must match or user error
 
-	off_t offset= ftell(File);
+	uint64_t offset= ftello(File);
 	//	std::cout << " ReadLatticeObject from offset "<<offset << std::endl;
 	BinarySimpleMunger<sobj,sobj> munge;
 	BinaryIO::readLatticeObject< vobj, sobj >(field, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
@@ -237,7 +237,7 @@ class GridLimeReader : public BinaryIO {
 	/////////////////////////////////////////////
 	// Verify checksums
 	/////////////////////////////////////////////
-	scidacChecksumVerify(scidacChecksum_,scidac_csuma,scidac_csumb);
+	assert(scidacChecksumVerify(scidacChecksum_,scidac_csuma,scidac_csumb)==1);
 	return;
       }
     }
@@ -253,16 +253,13 @@ class GridLimeReader : public BinaryIO {
     while ( limeReaderNextRecord(LimeR) == LIME_SUCCESS ) { 
 
       //      std::cout << GridLogMessage<< " readLimeObject seeking "<< record_name <<" found record :" <<limeReaderType(LimeR) <<std::endl;
-
       uint64_t nbytes = limeReaderBytes(LimeR);//size of this record (configuration)
 
       if ( !strncmp(limeReaderType(LimeR), record_name.c_str(),strlen(record_name.c_str()) )  ) {
 
 	//	std::cout << GridLogMessage<< " readLimeObject matches ! " << record_name <<std::endl;
-
 	std::vector<char> xmlc(nbytes+1,'\0');
 	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
-
 	//	std::cout << GridLogMessage<< " readLimeObject matches XML " << &xmlc[0] <<std::endl;
 
 	XmlReader RD(&xmlc[0],"");
@@ -332,7 +329,7 @@ class GridLimeWriter : public BinaryIO {
     err=limeWriteRecordData(&xmlstring[0], &nbytes, LimeW); assert(err>=0);
     err=limeWriterCloseRecord(LimeW);                       assert(err>=0);
     limeDestroyHeader(h);
-    //    std::cout << " File offset is now"<<ftell(File) << std::endl;
+    //    std::cout << " File offset is now"<<ftello(File) << std::endl;
   }
   ////////////////////////////////////////////
   // Write a generic lattice field and csum
@@ -349,7 +346,6 @@ class GridLimeWriter : public BinaryIO {
     uint64_t PayloadSize = sizeof(sobj) * field._grid->_gsites;
     createLimeRecordHeader(record_name, 0, 0, PayloadSize);
 
-
     //    std::cout << "W sizeof(sobj)"      <<sizeof(sobj)<<std::endl;
     //    std::cout << "W Gsites "           <<field._grid->_gsites<<std::endl;
     //    std::cout << "W Payload expected " <<PayloadSize<<std::endl;
@@ -361,18 +357,20 @@ class GridLimeWriter : public BinaryIO {
     // These are both buffered, so why I think this code is right is as follows.
     //
     // i)  write record header to FILE *File, telegraphing the size. 
-    // ii) ftell reads the offset from FILE *File .
+    // ii) ftello reads the offset from FILE *File .
     // iii) iostream / MPI Open independently seek this offset. Write sequence direct to disk.
     //      Closes iostream and flushes.
     // iv) fseek on FILE * to end of this disjoint section.
     //  v) Continue writing scidac record.
     ////////////////////////////////////////////////////////////////////
-    off_t offset = ftell(File);
+    uint64_t offset = ftello(File);
     //    std::cout << " Writing to offset "<<offset << std::endl;
     std::string format = getFormatString<vobj>();
     BinarySimpleMunger<sobj,sobj> munge;
     BinaryIO::writeLatticeObject<vobj,sobj>(field, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);
+    //    fseek(File,0,SEEK_END);    offset = ftello(File);std::cout << " offset now "<<offset << std::endl;
     err=limeWriterCloseRecord(LimeW);  assert(err>=0);
+
     ////////////////////////////////////////
     // Write checksum element, propagaing forward from the BinaryIO
     // Always pair a checksum with a binary object, and close message
@@ -382,7 +380,7 @@ class GridLimeWriter : public BinaryIO {
     std::stringstream streamb; streamb << std::hex << scidac_csumb;
     checksum.suma= streama.str();
     checksum.sumb= streamb.str();
-    std::cout << GridLogMessage<<" writing scidac checksums "<<std::hex<<scidac_csuma<<"/"<<scidac_csumb<<std::dec<<std::endl;
+    //    std::cout << GridLogMessage<<" writing scidac checksums "<<std::hex<<scidac_csuma<<"/"<<scidac_csumb<<std::dec<<std::endl;
     writeLimeObject(0,1,checksum,std::string("scidacChecksum"),std::string(SCIDAC_CHECKSUM));
   }
 };
@@ -642,7 +640,7 @@ class IldgReader : public GridLimeReader {
 	// Copy out the string
 	std::vector<char> xmlc(nbytes+1,'\0');
 	limeReaderReadData((void *)&xmlc[0], &nbytes, LimeR);    
-	std::cout << GridLogMessage<< "Non binary record :" <<limeReaderType(LimeR) <<std::endl; //<<"\n"<<(&xmlc[0])<<std::endl;
+	//	std::cout << GridLogMessage<< "Non binary record :" <<limeReaderType(LimeR) <<std::endl; //<<"\n"<<(&xmlc[0])<<std::endl;
 
 	//////////////////////////////////
 	// ILDG format record
@@ -686,7 +684,7 @@ class IldgReader : public GridLimeReader {
 	  std::string xmls(&xmlc[0]);
 	  // is it a USQCD info field
 	  if ( xmls.find(std::string("usqcdInfo")) != std::string::npos ) { 
-	    std::cout << GridLogMessage<<"...found a usqcdInfo field"<<std::endl;
+	    //	    std::cout << GridLogMessage<<"...found a usqcdInfo field"<<std::endl;
 	    XmlReader RD(&xmlc[0],"");
 	    read(RD,"usqcdInfo",usqcdInfo_);
 	    found_usqcdInfo = 1;
@@ -704,8 +702,7 @@ class IldgReader : public GridLimeReader {
 	// Binary data
 	/////////////////////////////////
 	std::cout << GridLogMessage << "ILDG Binary record found : "  ILDG_BINARY_DATA << std::endl;
-	off_t offset= ftell(File);
-
+	uint64_t offset= ftello(File);
 	if ( format == std::string("IEEE64BIG") ) {
 	  GaugeSimpleMunger<dobj, sobj> munge;
 	  BinaryIO::readLatticeObject< vobj, dobj >(Umu, filename, munge, offset, format,nersc_csum,scidac_csuma,scidac_csumb);

lib/qcd/action/fermion/CayleyFermion5D.cc

@@ -415,8 +415,6 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
     assert(omega[i]!=Coeff_t(0.0));
     bs[i] = 0.5*(bpc/omega[i] + bmc);
     cs[i] = 0.5*(bpc/omega[i] - bmc);
-    std::cout<<GridLogMessage << "CayleyFermion5D "<<i<<" bs="<<bs[i]<<" cs="<<cs[i]<< std::endl;
-
   }
 
   ////////////////////////////////////////////////////////

lib/qcd/action/fermion/Fermion.h

@@ -61,8 +61,8 @@ Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
 #include <Grid/qcd/action/fermion/MobiusFermion.h>
 #include <Grid/qcd/action/fermion/MobiusEOFAFermion.h>
 #include <Grid/qcd/action/fermion/ZMobiusFermion.h>
+#include <Grid/qcd/action/fermion/SchurDiagTwoKappa.h>
 #include <Grid/qcd/action/fermion/ScaledShamirFermion.h>
-//#include <Grid/qcd/action/fermion/SchurDiagTwoKappa.h>
 #include <Grid/qcd/action/fermion/MobiusZolotarevFermion.h>
 #include <Grid/qcd/action/fermion/ShamirZolotarevFermion.h>
 #include <Grid/qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h>

lib/qcd/action/fermion/SchurDiagTwoKappa.h

@@ -1,4 +1,3 @@
-#if 1
     /*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
@@ -98,117 +97,6 @@ namespace Grid {
     }
   };
 
-#if 0
-  ///////////////////////////////////////////////////////////////////////////////////////////////////////
-  // Copied from DiagTwoSolve
-  ///////////////////////////////////////////////////////////////////////////////////////////////////////
-  template<class Field> class SchurRedBlackDiagTwoSolve {
-  private:
-    OperatorFunction<Field> & _HermitianRBSolver;
-    int CBfactorise;
-  public:
-
-    /////////////////////////////////////////////////////
-    // Wrap the usual normal equations Schur trick
-    /////////////////////////////////////////////////////
-  SchurRedBlackDiagTwoSolve(OperatorFunction<Field> &HermitianRBSolver)  :
-     _HermitianRBSolver(HermitianRBSolver) 
-    { 
-      CBfactorise=0;
-    };
-
-    template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
-
-      // FIXME CGdiagonalMee not implemented virtual function
-      // FIXME use CBfactorise to control schur decomp
-      GridBase *grid = _Matrix.RedBlackGrid();
-      GridBase *fgrid= _Matrix.Grid();
-
-      SchurDiagTwoOperator<Matrix,Field> _HermOpEO(_Matrix);
- 
-      Field src_e(grid);
-      Field src_o(grid);
-      Field sol_e(grid);
-      Field sol_o(grid);
-      Field   tmp(grid);
-      Field  Mtmp(grid);
-      Field resid(fgrid);
-
-      pickCheckerboard(Even,src_e,in);
-      pickCheckerboard(Odd ,src_o,in);
-      pickCheckerboard(Even,sol_e,out);
-      pickCheckerboard(Odd ,sol_o,out);
-    
-      /////////////////////////////////////////////////////
-      // src_o = Mdag * (source_o - Moe MeeInv source_e)
-      /////////////////////////////////////////////////////
-      _Matrix.MooeeInv(src_e,tmp);     assert(  tmp.checkerboard ==Even);
-      _Matrix.Meooe   (tmp,Mtmp);      assert( Mtmp.checkerboard ==Odd);     
-      tmp=src_o-Mtmp;                  assert(  tmp.checkerboard ==Odd);     
-
-      // get the right MpcDag
-      _HermOpEO.MpcDag(tmp,src_o);     assert(src_o.checkerboard ==Odd);       
-
-      //////////////////////////////////////////////////////////////
-      // Call the red-black solver
-      //////////////////////////////////////////////////////////////
-      std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
-//      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
-      _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
-      _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
-
-      ///////////////////////////////////////////////////
-      // sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
-      ///////////////////////////////////////////////////
-      _Matrix.Meooe(sol_o,tmp);        assert(  tmp.checkerboard   ==Even);
-      src_e = src_e-tmp;               assert(  src_e.checkerboard ==Even);
-      _Matrix.MooeeInv(src_e,sol_e);   assert(  sol_e.checkerboard ==Even);
-     
-      setCheckerboard(out,sol_e); assert(  sol_e.checkerboard ==Even);
-      setCheckerboard(out,sol_o); assert(  sol_o.checkerboard ==Odd );
-
-      // Verify the unprec residual
-      _Matrix.M(out,resid); 
-      resid = resid-in;
-      RealD ns = norm2(in);
-      RealD nr = norm2(resid);
-
-      std::cout<<GridLogMessage << "SchurRedBlackDiagTwoKappa solver true unprec resid "<< std::sqrt(nr/ns) <<" nr "<< nr <<" ns "<<ns << std::endl;
-    }     
-  };
-#endif
-namespace QCD{
-    //
-    // Determinant is det of middle factor
-    // This assumes Mee is indept of U.
-    //
-    //
-    template<class Impl>
-    class SchurDifferentiableDiagTwo:  public SchurDiagTwoOperator<FermionOperator<Impl>,typename Impl::FermionField> 
-      {
-      public:
-      INHERIT_IMPL_TYPES(Impl);
-
- 	typedef FermionOperator<Impl> Matrix;
-
-	SchurDifferentiableDiagTwo (Matrix &Mat) : SchurDiagTwoOperator<Matrix,FermionField>(Mat) {};
-    };
-#if 0
-    template<class Impl>
-    class SchurDifferentiableDiagTwoKappa :  public SchurDiagTwoKappaOperator<FermionOperator<Impl>,typename Impl::FermionField> 
-      {
-      public:
-      INHERIT_IMPL_TYPES(Impl);
-
- 	typedef FermionOperator<Impl> Matrix;
-
-	SchurDifferentiableDiagTwoKappa (Matrix &Mat) : SchurDiagTwoKappaOperator<Matrix,FermionField>(Mat) {};
-    };
-#endif
-}
-
 }
 
 #endif
-#endif

lib/qcd/action/pseudofermion/EvenOddSchurDifferentiable.h

@@ -140,7 +140,6 @@ namespace Grid{
 
     };
 
-
   }
 }
 #endif

lib/qcd/utils/SpaceTimeGrid.cc

@@ -50,7 +50,6 @@ GridCartesian *SpaceTimeGrid::makeFourDimDWFGrid(const std::vector<int> & latt,c
 GridCartesian         *SpaceTimeGrid::makeFiveDimGrid(int Ls,const GridCartesian *FourDimGrid)
 {
   int N4=FourDimGrid->_ndimension;
-  assert(N4==4);
 
   std::vector<int> latt5(1,Ls);
   std::vector<int> simd5(1,1);

lib/serialisation/XmlIO.cc

@@ -70,8 +70,8 @@ XmlReader::XmlReader(const char *xmlstring,string toplev) : fileName_("")
   pugi::xml_parse_result result;
   result = doc_.load_string(xmlstring);
   if ( !result ) {
-    cerr << "XML error description: " << result.description() << "\n";
-    cerr << "XML error offset     : " << result.offset        << "\n";
+    cerr << "XML error description (from char *): " << result.description() << "\nXML\n"<< xmlstring << "\n";
+    cerr << "XML error offset      (from char *) " << result.offset         << "\nXML\n"<< xmlstring <<"\n";
     abort();
   }
   if ( toplev == std::string("") ) {
@@ -87,8 +87,8 @@ XmlReader::XmlReader(const string &fileName,string toplev) : fileName_(fileName)
   pugi::xml_parse_result result;
   result = doc_.load_file(fileName_.c_str());
   if ( !result ) {
-    cerr << "XML error description: " << result.description() << "\n";
-    cerr << "XML error offset     : " << result.offset        << "\n";
+    cerr << "XML error description: " << result.description() <<" "<< fileName_ <<"\n";
+    cerr << "XML error offset     : " << result.offset        <<" "<< fileName_ <<"\n";
     abort();
   }
   if ( toplev == std::string("") ) {

lib/threads/Threads.h

@@ -51,7 +51,9 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #define PARALLEL_CRITICAL
 #endif
 
+#define parallel_region    PARALLEL_REGION
 #define parallel_for       PARALLEL_FOR_LOOP for
+#define parallel_for_internal PARALLEL_FOR_LOOP_INTERN for
 #define parallel_for_nest2 PARALLEL_NESTED_LOOP2 for
 
 namespace Grid {

lib/util/Init.cc

@@ -208,7 +208,7 @@ static int Grid_is_initialised = 0;
 
 void Grid_init(int *argc,char ***argv)
 {
-  GridLogger::StopWatch.Start();
+  GridLogger::GlobalStopWatch.Start();
 
   std::string arg;
 

lib/util/Lexicographic.h

@@ -18,10 +18,6 @@ namespace Grid{
 
     static inline void IndexFromCoor (const std::vector<int>& coor,int &index,const std::vector<int> &dims){
       int nd=dims.size();
-      if(nd > coor.size())  {
-	std::cout<< "coor.size "<<coor.size()<<" >dims.size "<<dims.size()<<std::endl; 
-	assert(0);
-	}
       int stride=1;
       index=0;
       for(int d=0;d<nd;d++){
@@ -30,6 +26,25 @@ namespace Grid{
       }
     }
 
+    static inline void IndexFromCoorReversed (const std::vector<int>& coor,int &index,const std::vector<int> &dims){
+      int nd=dims.size();
+      int stride=1;
+      index=0;
+      for(int d=nd-1;d>=0;d--){
+	index = index+stride*coor[d];
+	stride=stride*dims[d];
+      }
+    }
+    static inline void CoorFromIndexReversed (std::vector<int>& coor,int index,const std::vector<int> &dims){
+      int nd= dims.size();
+      coor.resize(nd);
+      for(int d=nd-1;d>=0;d--){
+	coor[d] = index % dims[d];
+	index   = index / dims[d];
+      }
+    }
+
+
   };
 
 }

tests/debug/Test_cheby.cc

@@ -37,8 +37,15 @@ RealD InverseApproximation(RealD x){
 RealD SqrtApproximation(RealD x){
   return std::sqrt(x);
 }
+RealD Approximation32(RealD x){
+  return std::pow(x,-1.0/32.0);
+}
+RealD Approximation2(RealD x){
+  return std::pow(x,-1.0/2.0);
+}
+
 RealD StepFunction(RealD x){
-  if ( x<0.1 )  return 1.0;
+  if ( x<10.0 )  return 1.0;
   else return 0.0;
 }
 
@@ -56,7 +63,6 @@ int main (int argc, char ** argv)
 
   Chebyshev<LatticeFermion> ChebyInv(lo,hi,2000,InverseApproximation);
 
-
   {
     std::ofstream of("chebyinv");
     ChebyInv.csv(of);
@@ -78,7 +84,6 @@ int main (int argc, char ** argv)
 
 
   ChebyStep.JacksonSmooth();
-
   {
     std::ofstream of("chebystepjack");
     ChebyStep.csv(of);
@@ -100,5 +105,30 @@ int main (int argc, char ** argv)
     ChebyNE.csv(of);
   }
 
+  lo=0.0;
+  hi=4.0;
+  Chebyshev<LatticeFermion> Cheby32(lo,hi,2000,Approximation32);
+  {
+    std::ofstream of("cheby32");
+    Cheby32.csv(of);
+  }
+  Cheby32.JacksonSmooth();
+  {
+    std::ofstream of("cheby32jack");
+    Cheby32.csv(of);
+  }
+
+  Chebyshev<LatticeFermion> ChebySqrt(lo,hi,2000,Approximation2);
+  {
+    std::ofstream of("chebysqrt");
+    ChebySqrt.csv(of);
+  }
+  ChebySqrt.JacksonSmooth();
+  {
+    std::ofstream of("chebysqrtjack");
+    ChebySqrt.csv(of);
+  }
+
+
   Grid_finalize();
 }

tests/hmc/Test_remez.cc

@@ -38,11 +38,11 @@ int main (int argc, char ** argv)
 
   std::cout<<GridLogMessage << "Testing Remez"<<std::endl;
 
-  double     lo=0.01;
-  double     hi=1.0;
+  double     lo=1.0e-3;
+  double     hi=5.0;
   int precision=64;
-  int    degree=10;
-  AlgRemez remez(0.001,1.0,precision);
+  int    degree=16;
+  AlgRemez remez(lo,hi,precision);
 
   ////////////////////////////////////////
   // sqrt and inverse sqrt
@@ -50,21 +50,50 @@ int main (int argc, char ** argv)
 
   std::cout<<GridLogMessage << "Generating degree "<<degree<<" for x^(1/2)"<<std::endl;
   remez.generateApprox(degree,1,2);
-  MultiShiftFunction Sqrt(remez,1.0,false);
-  MultiShiftFunction InvSqrt(remez,1.0,true);
+  MultiShiftFunction Root2(remez,1.0,false);
+  MultiShiftFunction InvRoot2(remez,1.0,true);
 
 
   std::cout<<GridLogMessage << "Generating degree "<<degree<<" for x^(1/4)"<<std::endl;
   remez.generateApprox(degree,1,4);
-  MultiShiftFunction SqrtSqrt(remez,1.0,false);
-  MultiShiftFunction InvSqrtSqrt(remez,1.0,true);
+  MultiShiftFunction Root4(remez,1.0,false);
+  MultiShiftFunction InvRoot4(remez,1.0,true);
 
+  std::cout<<GridLogMessage << "Generating degree "<<degree<<" for x^(1/8)"<<std::endl;
+  remez.generateApprox(degree,1,8);
+  MultiShiftFunction Root8(remez,1.0,false);
+  MultiShiftFunction InvRoot8(remez,1.0,true);
+
+  std::cout<<GridLogMessage << "Generating degree "<<degree<<" for x^(1/16)"<<std::endl;
+  remez.generateApprox(degree,1,16);
+  MultiShiftFunction Root16(remez,1.0,false);
+  MultiShiftFunction InvRoot16(remez,1.0,true);
+
+  std::cout<<GridLogMessage << "Generating degree "<<degree<<" for x^(1/32)"<<std::endl;
+  remez.generateApprox(degree,1,32);
+  MultiShiftFunction Root32(remez,1.0,false);
+  MultiShiftFunction InvRoot32(remez,1.0,true);
   
-  ofstream gnuplot(std::string("Sqrt.gnu"),std::ios::out|std::ios::trunc);
-  Sqrt.gnuplot(gnuplot);
+  ofstream gnuplot(std::string("Root2.gnu"),std::ios::out|std::ios::trunc);
+  Root2.gnuplot(gnuplot);
+
+  ofstream gnuplot_i2(std::string("InvRoot2.gnu"),std::ios::out|std::ios::trunc);
+  InvRoot2.gnuplot(gnuplot_i2);
+
+  ofstream gnuplot_i4(std::string("InvRoot4.gnu"),std::ios::out|std::ios::trunc);
+  InvRoot4.gnuplot(gnuplot_i4);
+
+  ofstream gnuplot_i8(std::string("InvRoot8.gnu"),std::ios::out|std::ios::trunc);
+  InvRoot8.gnuplot(gnuplot_i8);
+
+  ofstream gnuplot_i16(std::string("InvRoot16.gnu"),std::ios::out|std::ios::trunc);
+  InvRoot16.gnuplot(gnuplot_i16);
+
+  ofstream gnuplot_i32(std::string("InvRoot32.gnu"),std::ios::out|std::ios::trunc);
+  InvRoot32.gnuplot(gnuplot_i32);
+
+
 
-  ofstream gnuplot_inv(std::string("InvSqrt.gnu"),std::ios::out|std::ios::trunc);
-  InvSqrt.gnuplot(gnuplot);
 
   double x=0.6789;
   double sx=std::sqrt(x);
@@ -72,10 +101,10 @@ int main (int argc, char ** argv)
   double isx=1.0/sx;
   double issx=1.0/ssx;
 
-  double asx  =Sqrt.approx(x);
-  double assx =SqrtSqrt.approx(x);
-  double aisx =InvSqrt.approx(x);
-  double aissx=InvSqrtSqrt.approx(x);
+  double asx  =Root2.approx(x);
+  double assx =Root4.approx(x);
+  double aisx =InvRoot2.approx(x);
+  double aissx=InvRoot4.approx(x);
 
   std::cout<<GridLogMessage << "x^(1/2) : "<<sx<<" "<<asx<<std::endl;
   std::cout<<GridLogMessage << "x^(1/4) : "<<ssx<<" "<<assx<<std::endl;

tests/lanczos/FieldBasisVector.h

@@ -0,0 +1,81 @@
+namespace Grid { 
+
+template<class Field>
+class BasisFieldVector {
+ public:
+  int _Nm;
+
+  typedef typename Field::scalar_type Coeff_t;
+  typedef typename Field::vector_type vCoeff_t;
+  typedef typename Field::vector_object vobj;
+  typedef typename vobj::scalar_object sobj;
+
+  std::vector<Field> _v; // _Nfull vectors
+
+  void report(int n,GridBase* value) {
+
+    std::cout << GridLogMessage << "BasisFieldVector allocated:\n";
+    std::cout << GridLogMessage << " Delta N = " << n << "\n";
+    std::cout << GridLogMessage << " Size of full vectors (size) = " << 
+      ((double)n*sizeof(vobj)*value->oSites() / 1024./1024./1024.) << " GB\n";
+    std::cout << GridLogMessage << " Size = " << _v.size() << " Capacity = " << _v.capacity() << std::endl;
+
+    value->Barrier();
+
+#ifdef __linux
+    if (value->IsBoss()) {
+      system("cat /proc/meminfo");
+    }
+#endif
+
+    value->Barrier();
+
+  }
+
+  BasisFieldVector(int Nm,GridBase* value) : _Nm(Nm), _v(Nm,value) {
+    report(Nm,value);
+  }
+  
+  ~BasisFieldVector() {
+  }
+
+  Field& operator[](int i) {
+    return _v[i];
+  }
+
+  void orthogonalize(Field& w, int k) {
+    basisOrthogonalize(_v,w,k);
+  }
+
+  void rotate(Eigen::MatrixXd& Qt,int j0, int j1, int k0,int k1,int Nm) {
+    basisRotate(_v,Qt,j0,j1,k0,k1,Nm);
+  }
+
+  size_t size() const {
+    return _Nm;
+  }
+
+  void resize(int n) {
+    if (n > _Nm)
+      _v.reserve(n);
+    
+    _v.resize(n,_v[0]._grid);
+
+    if (n < _Nm)
+      _v.shrink_to_fit();
+
+    report(n - _Nm,_v[0]._grid);
+
+    _Nm = n;
+  }
+
+  void sortInPlace(std::vector<RealD>& sort_vals, bool reverse) {
+    basisSortInPlace(_v,sort_vals,reverse);
+  }
+
+  void deflate(const std::vector<RealD>& eval,const Field& src_orig,Field& result) {
+    basisDeflate(_v,eval,src_orig,result);
+  }
+
+ }; 
+}

tests/lanczos/Test_dwf_compressed_lanczos.cc

@@ -21,7 +21,14 @@
     (ortho krylov low poly); and then fix up lowest say 200 eigenvalues by 1 run with high-degree poly (600 could be enough)
 */
 #include <Grid/Grid.h>
-#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+/////////////////////////////////////////////////////////////////////////////
+// The following are now decoupled from the Lanczos and deal with grids.
+// Safe to replace functionality
+/////////////////////////////////////////////////////////////////////////////
+#include "BlockedGrid.h"
+#include "FieldBasisVector.h"
+#include "BlockProjector.h"
 #include "FieldVectorIO.h"
 #include "Params.h"
 
@@ -93,19 +100,6 @@ void write_history(char* fn, std::vector<RealD>& hist) {
   fclose(f);
 }
 
-template<typename Field>
-class FunctionHermOp : public LinearFunction<Field> {
-public:
-  OperatorFunction<Field>   & _poly;
-  LinearOperatorBase<Field> &_Linop;
-
-  FunctionHermOp(OperatorFunction<Field> & poly,LinearOperatorBase<Field>& linop) : _poly(poly), _Linop(linop) {
-  }
-
-  void operator()(const Field& in, Field& out) {
-    _poly(_Linop,in,out);
-  }
-};
 
 template<typename Field>
 class CheckpointedLinearFunction : public LinearFunction<Field> {
@@ -261,19 +255,6 @@ public:
   }
 };
 
-template<typename Field>
-class PlainHermOp : public LinearFunction<Field> {
-public:
-  LinearOperatorBase<Field> &_Linop;
-
-  PlainHermOp(LinearOperatorBase<Field>& linop) : _Linop(linop) {
-  }
-
-  void operator()(const Field& in, Field& out) {
-    _Linop.HermOp(in,out);
-  }
-};
-
 template<typename vtype, int N > using CoarseSiteFieldGeneral = iScalar< iVector<vtype, N> >;
 template<int N> using CoarseSiteFieldD = CoarseSiteFieldGeneral< vComplexD, N >;
 template<int N> using CoarseSiteFieldF = CoarseSiteFieldGeneral< vComplexF, N >;
@@ -319,7 +300,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
     Op2 = &Op2plain;
   }
   ProjectedHermOp<CoarseLatticeFermion<Nstop1>,LatticeFermion> Op2nopoly(pr,HermOp);
-  BlockImplicitlyRestartedLanczos<CoarseLatticeFermion<Nstop1> > IRL2(*Op2,*Op2,Nstop2,Nk2,Nm2,resid2,betastp2,MaxIt,MinRes2);
+  ImplicitlyRestartedLanczos<CoarseLatticeFermion<Nstop1> > IRL2(*Op2,*Op2,Nstop2,Nk2,Nm2,resid2,MaxIt,betastp2,MinRes2);
 
 
   src_coarse = 1.0;
@@ -350,7 +331,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
       ) {
     
 
-    IRL2.calc(eval2,coef,src_coarse,Nconv,true,SkipTest2);
+    IRL2.calc(eval2,coef._v,src_coarse,Nconv,true);
 
     coef.resize(Nstop2);
     eval2.resize(Nstop2);
@@ -450,6 +431,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
     auto result = src_orig; 
 
     // undeflated solve
+    std::cout << GridLogMessage << " Undeflated solve "<<std::endl;
     result = zero;
     CG(HermOp, src_orig, result);
     //    if (UCoarseGrid->IsBoss())
@@ -457,6 +439,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
     //    CG.ResHistory.clear();
 
     // deflated solve with all eigenvectors
+    std::cout << GridLogMessage << " Deflated solve with all evectors"<<std::endl;
     result = zero;
     pr.deflate(coef,eval2,Nstop2,src_orig,result);
     CG(HermOp, src_orig, result);
@@ -465,6 +448,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
     //    CG.ResHistory.clear();
 
     // deflated solve with non-blocked eigenvectors
+    std::cout << GridLogMessage << " Deflated solve with non-blocked evectors"<<std::endl;
     result = zero;
     pr.deflate(coef,eval1,Nstop1,src_orig,result);
     CG(HermOp, src_orig, result);
@@ -473,6 +457,7 @@ void CoarseGridLanczos(BlockProjector<Field>& pr,RealD alpha2,RealD beta,int Npo
     //    CG.ResHistory.clear();
 
     // deflated solve with all eigenvectors and original eigenvalues from proj
+    std::cout << GridLogMessage << " Deflated solve with all eigenvectors and original eigenvalues from proj"<<std::endl;
     result = zero;
     pr.deflate(coef,eval3,Nstop2,src_orig,result);
     CG(HermOp, src_orig, result);
@@ -641,7 +626,7 @@ int main (int argc, char ** argv) {
   }
 
   // First round of Lanczos to get low mode basis
-  BlockImplicitlyRestartedLanczos<LatticeFermion> IRL1(Op1,Op1test,Nstop1,Nk1,Nm1,resid1,betastp1,MaxIt,MinRes1);
+  ImplicitlyRestartedLanczos<LatticeFermion> IRL1(Op1,Op1test,Nstop1,Nk1,Nm1,resid1,MaxIt,betastp1,MinRes1);
   int Nconv;
 
   char tag[1024];
@@ -650,7 +635,7 @@ int main (int argc, char ** argv) {
     if (simple_krylov_basis) {
       quick_krylov_basis(evec,src,Op1,Nstop1);
     } else {
-      IRL1.calc(eval1,evec,src,Nconv,false,1);
+      IRL1.calc(eval1,evec._v,src,Nconv,false);
     }
     evec.resize(Nstop1); // and throw away superfluous
     eval1.resize(Nstop1);

tests/lanczos/Test_dwf_compressed_lanczos_reorg.cc

@@ -0,0 +1,254 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_dwf_compressed_lanczos_reorg.cc
+
+    Copyright (C) 2017
+
+Author: Leans heavily on Christoph Lehner's code
+Author: Peter Boyle <paboyle@ph.ed.ac.uk>
+
+    This program is free software; you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation; either version 2 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License along
+    with this program; if not, write to the Free Software Foundation, Inc.,
+    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+
+    See the full license in the file "LICENSE" in the top level distribution directory
+    *************************************************************************************/
+    /*  END LEGAL */
+/*
+ *  Reimplement the badly named "multigrid" lanczos as compressed Lanczos using the features 
+ *  in Grid that were intended to be used to support blocked Aggregates, from
+ */
+#include <Grid/Grid.h>
+#include <Grid/algorithms/iterative/ImplicitlyRestartedLanczos.h>
+#include <Grid/algorithms/iterative/LocalCoherenceLanczos.h>
+
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+template<class Fobj,class CComplex,int nbasis>
+class LocalCoherenceLanczosScidac : public LocalCoherenceLanczos<Fobj,CComplex,nbasis>
+{ 
+public:
+  typedef iVector<CComplex,nbasis >           CoarseSiteVector;
+  typedef Lattice<CoarseSiteVector>           CoarseField;
+  typedef Lattice<CComplex>   CoarseScalar; // used for inner products on fine field
+  typedef Lattice<Fobj>          FineField;
+
+  LocalCoherenceLanczosScidac(GridBase *FineGrid,GridBase *CoarseGrid,
+			      LinearOperatorBase<FineField> &FineOp,
+			      int checkerboard) 
+    // Base constructor
+    : LocalCoherenceLanczos<Fobj,CComplex,nbasis>(FineGrid,CoarseGrid,FineOp,checkerboard) 
+  {};
+
+  void checkpointFine(std::string evecs_file,std::string evals_file)
+  {
+    assert(this->_Aggregate.subspace.size()==nbasis);
+    emptyUserRecord record;
+    Grid::QCD::ScidacWriter WR;
+    WR.open(evecs_file);
+    for(int k=0;k<nbasis;k++) {
+      WR.writeScidacFieldRecord(this->_Aggregate.subspace[k],record);
+    }
+    WR.close();
+    
+    XmlWriter WRx(evals_file);
+    write(WRx,"evals",this->evals_fine);
+  }
+
+  void checkpointFineRestore(std::string evecs_file,std::string evals_file)
+  {
+    this->evals_fine.resize(nbasis);
+    this->_Aggregate.subspace.resize(nbasis,this->_FineGrid);
+    
+    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evals from "<<evals_file<<std::endl;
+    XmlReader RDx(evals_file);
+    read(RDx,"evals",this->evals_fine);
+    
+    assert(this->evals_fine.size()==nbasis);
+    
+    std::cout << GridLogIRL<< "checkpointFineRestore:  Reading evecs from "<<evecs_file<<std::endl;
+    emptyUserRecord record;
+    Grid::QCD::ScidacReader RD ;
+    RD.open(evecs_file);
+    for(int k=0;k<nbasis;k++) {
+      this->_Aggregate.subspace[k].checkerboard=this->_checkerboard;
+      RD.readScidacFieldRecord(this->_Aggregate.subspace[k],record);
+      
+    }
+    RD.close();
+  }
+
+  void checkpointCoarse(std::string evecs_file,std::string evals_file)
+  {
+    int n = this->evec_coarse.size();
+    emptyUserRecord record;
+    Grid::QCD::ScidacWriter WR;
+    WR.open(evecs_file);
+    for(int k=0;k<n;k++) {
+      WR.writeScidacFieldRecord(this->evec_coarse[k],record);
+    }
+    WR.close();
+    
+    XmlWriter WRx(evals_file);
+    write(WRx,"evals",this->evals_coarse);
+  }
+
+  void checkpointCoarseRestore(std::string evecs_file,std::string evals_file,int nvec)
+  {
+    std::cout << "resizing coarse vecs to " << nvec<< std::endl;
+    this->evals_coarse.resize(nvec);
+    this->evec_coarse.resize(nvec,this->_CoarseGrid);
+    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evals from "<<evals_file<<std::endl;
+    XmlReader RDx(evals_file);
+    read(RDx,"evals",this->evals_coarse);
+
+    assert(this->evals_coarse.size()==nvec);
+    emptyUserRecord record;
+    std::cout << GridLogIRL<< "checkpointCoarseRestore:  Reading evecs from "<<evecs_file<<std::endl;
+    Grid::QCD::ScidacReader RD ;
+    RD.open(evecs_file);
+    for(int k=0;k<nvec;k++) {
+      RD.readScidacFieldRecord(this->evec_coarse[k],record);
+    }
+    RD.close();
+  }
+};
+
+int main (int argc, char ** argv) {
+
+  Grid_init(&argc,&argv);
+  GridLogIRL.TimingMode(1);
+
+  LocalCoherenceLanczosParams Params;
+  {
+    Params.omega.resize(10);
+    Params.blockSize.resize(5);
+    XmlWriter writer("Params_template.xml");
+    write(writer,"Params",Params);
+    std::cout << GridLogMessage << " Written Params_template.xml" <<std::endl;
+  }
+  
+  { 
+    XmlReader reader(std::string("./Params.xml"));
+    read(reader, "Params", Params);
+  }
+
+  int     Ls = (int)Params.omega.size();
+  RealD mass = Params.mass;
+  RealD M5   = Params.M5;
+  std::vector<int> blockSize = Params.blockSize;
+
+  // Grids
+  GridCartesian         * UGrid     = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(),
+								     GridDefaultSimd(Nd,vComplex::Nsimd()),
+								     GridDefaultMpi());
+  GridRedBlackCartesian * UrbGrid   = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridCartesian         * FGrid     = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * FrbGrid   = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  std::vector<int> fineLatt     = GridDefaultLatt();
+  int dims=fineLatt.size();
+  assert(blockSize.size()==dims+1);
+  std::vector<int> coarseLatt(dims);
+  std::vector<int> coarseLatt5d ;
+
+  for (int d=0;d<coarseLatt.size();d++){
+    coarseLatt[d] = fineLatt[d]/blockSize[d];    assert(coarseLatt[d]*blockSize[d]==fineLatt[d]);
+  }
+
+  std::cout << GridLogMessage<< " 5d coarse lattice is ";
+  for (int i=0;i<coarseLatt.size();i++){
+    std::cout << coarseLatt[i]<<"x";
+  } 
+  int cLs = Ls/blockSize[dims]; assert(cLs*blockSize[dims]==Ls);
+  std::cout << cLs<<std::endl;
+  
+  GridCartesian         * CoarseGrid4    = SpaceTimeGrid::makeFourDimGrid(coarseLatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridRedBlackCartesian * CoarseGrid4rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid4);
+  GridCartesian         * CoarseGrid5    = SpaceTimeGrid::makeFiveDimGrid(cLs,CoarseGrid4);
+  GridRedBlackCartesian * CoarseGrid5rb  = SpaceTimeGrid::makeFourDimRedBlackGrid(CoarseGrid5);
+
+  // Gauge field
+  LatticeGaugeField Umu(UGrid);
+  FieldMetaData header;
+  NerscIO::readConfiguration(Umu,header,Params.config);
+  std::cout << GridLogMessage << "Lattice dimensions: " << GridDefaultLatt() << "   Ls: " << Ls << std::endl;
+
+  // ZMobius EO Operator
+  ZMobiusFermionR Ddwf(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mass, M5, Params.omega,1.,0.);
+  SchurDiagTwoOperator<ZMobiusFermionR,LatticeFermion> HermOp(Ddwf);
+
+  // Eigenvector storage
+  LanczosParams fine  =Params.FineParams;  
+  LanczosParams coarse=Params.CoarseParams;  
+
+  const int Ns1 = fine.Nstop;   const int Ns2 = coarse.Nstop;
+  const int Nk1 = fine.Nk;      const int Nk2 = coarse.Nk;
+  const int Nm1 = fine.Nm;      const int Nm2 = coarse.Nm;
+
+  std::cout << GridLogMessage << "Keep " << fine.Nstop   << " fine   vectors" << std::endl;
+  std::cout << GridLogMessage << "Keep " << coarse.Nstop << " coarse vectors" << std::endl;
+  assert(Nm2 >= Nm1);
+
+  const int nbasis= 60;
+  assert(nbasis==Ns1);
+  LocalCoherenceLanczosScidac<vSpinColourVector,vTComplex,nbasis> _LocalCoherenceLanczos(FrbGrid,CoarseGrid5rb,HermOp,Odd);
+  std::cout << GridLogMessage << "Constructed LocalCoherenceLanczos" << std::endl;
+
+  assert( (Params.doFine)||(Params.doFineRead));
+
+  if ( Params.doFine ) { 
+    std::cout << GridLogMessage << "Performing fine grid IRL Nstop "<< Ns1 << " Nk "<<Nk1<<" Nm "<<Nm1<< std::endl;
+    _LocalCoherenceLanczos.calcFine(fine.Cheby,
+		 fine.Nstop,fine.Nk,fine.Nm,
+		 fine.resid,fine.MaxIt, 
+		 fine.betastp,fine.MinRes);
+
+    std::cout << GridLogIRL<<"Checkpointing Fine evecs"<<std::endl;
+    _LocalCoherenceLanczos.checkpointFine(std::string("evecs.scidac"),std::string("evals.xml"));
+    _LocalCoherenceLanczos.testFine(fine.resid*100.0); // Coarse check
+    _LocalCoherenceLanczos.Orthogonalise();
+  }
+
+  if ( Params.doFineRead ) { 
+    _LocalCoherenceLanczos.checkpointFineRestore(std::string("evecs.scidac"),std::string("evals.xml"));
+    _LocalCoherenceLanczos.testFine(fine.resid*100.0); // Coarse check
+    _LocalCoherenceLanczos.Orthogonalise();
+  }
+
+  if ( Params.doCoarse ) {
+    std::cout << GridLogMessage << "Orthogonalising " << nbasis<<" Nm "<<Nm2<< std::endl;
+    
+    std::cout << GridLogMessage << "Performing coarse grid IRL Nstop "<< Ns2<< " Nk "<<Nk2<<" Nm "<<Nm2<< std::endl;
+    _LocalCoherenceLanczos.calcCoarse(coarse.Cheby,Params.Smoother,Params.coarse_relax_tol,
+			      coarse.Nstop, coarse.Nk,coarse.Nm,
+			      coarse.resid, coarse.MaxIt, 
+			      coarse.betastp,coarse.MinRes);
+
+
+    std::cout << GridLogIRL<<"Checkpointing coarse evecs"<<std::endl;
+    _LocalCoherenceLanczos.checkpointCoarse(std::string("evecs.coarse.scidac"),std::string("evals.coarse.xml"));
+  }
+
+  if ( Params.doCoarseRead ) {
+    // Verify we can reread ???
+    _LocalCoherenceLanczos.checkpointCoarseRestore(std::string("evecs.coarse.scidac"),std::string("evals.coarse.xml"),coarse.Nstop);
+    _LocalCoherenceLanczos.testCoarse(coarse.resid*100.0,Params.Smoother,Params.coarse_relax_tol); // Coarse check
+  }
+  Grid_finalize();
+}
+

tests/lanczos/Test_dwf_lanczos.cc

@@ -84,11 +84,12 @@ int main (int argc, char ** argv)
 
   std::vector<double> Coeffs { 0.,-1.};
   Polynomial<FermionField> PolyX(Coeffs);
-  Chebyshev<FermionField> Cheb(0.2,5.,11);
-//  ChebyshevLanczos<LatticeFermion> Cheb(9.,1.,0.,20);
-//  Cheb.csv(std::cout);
-//  exit(-24);
-  ImplicitlyRestartedLanczos<FermionField> IRL(HermOp,Cheb,Nstop,Nk,Nm,resid,MaxIt);
+  Chebyshev<FermionField> Cheby(0.2,5.,11);
+
+  FunctionHermOp<FermionField> OpCheby(Cheby,HermOp);
+     PlainHermOp<FermionField> Op     (HermOp);
+
+  ImplicitlyRestartedLanczos<FermionField> IRL(OpCheby,Op,Nstop,Nk,Nm,resid,MaxIt);
 
   
   std::vector<RealD>          eval(Nm);

tests/lanczos/Test_synthetic_lanczos.cc

@@ -119,12 +119,13 @@ int main (int argc, char ** argv)
   RealD beta  = 0.1;
   RealD mu    = 0.0;
   int order = 11;
-  ChebyshevLanczos<LatticeComplex> Cheby(alpha,beta,mu,order);
+  Chebyshev<LatticeComplex> Cheby(alpha,beta,order);
   std::ofstream file("cheby.dat");
   Cheby.csv(file);
 
-  HermOpOperatorFunction<LatticeComplex> X;
   DumbOperator<LatticeComplex> HermOp(grid);
+  FunctionHermOp<LatticeComplex> OpCheby(Cheby,HermOp);
+     PlainHermOp<LatticeComplex> Op(HermOp);
 
   const int Nk = 40;
   const int Nm = 80;
@@ -133,8 +134,9 @@ int main (int argc, char ** argv)
   int Nconv;
   RealD eresid = 1.0e-6;
 
-  ImplicitlyRestartedLanczos<LatticeComplex> IRL(HermOp,X,Nk,Nk,Nm,eresid,Nit);
-  ImplicitlyRestartedLanczos<LatticeComplex> ChebyIRL(HermOp,Cheby,Nk,Nk,Nm,eresid,Nit);
+
+  ImplicitlyRestartedLanczos<LatticeComplex> IRL(Op,Op,Nk,Nk,Nm,eresid,Nit);
+  ImplicitlyRestartedLanczos<LatticeComplex> ChebyIRL(OpCheby,Op,Nk,Nk,Nm,eresid,Nit);
 
   LatticeComplex src(grid); gaussian(RNG,src);
   {

tests/lanczos/Test_wilson_lanczos.cc

@@ -86,9 +86,12 @@ int main(int argc, char** argv) {
 
   std::vector<double> Coeffs{0, 1.};
   Polynomial<FermionField> PolyX(Coeffs);
-  Chebyshev<FermionField> Cheb(0.0, 10., 12);
-  ImplicitlyRestartedLanczos<FermionField> IRL(HermOp, PolyX, Nstop, Nk, Nm,
-                                               resid, MaxIt);
+  Chebyshev<FermionField> Cheby(0.0, 10., 12);
+
+  FunctionHermOp<FermionField> OpCheby(Cheby,HermOp);
+     PlainHermOp<FermionField> Op     (HermOp);
+
+  ImplicitlyRestartedLanczos<FermionField> IRL(OpCheby, Op, Nstop, Nk, Nm, resid, MaxIt);
 
   std::vector<RealD> eval(Nm);
   FermionField src(FGrid);

tests/solver/Test_dwf_hdcr.cc

@@ -555,13 +555,13 @@ int main (int argc, char ** argv)
   std::cout<<GridLogMessage << "Calling Aggregation class to build subspace" <<std::endl;
   std::cout<<GridLogMessage << "**************************************************"<< std::endl;
   MdagMLinearOperator<DomainWallFermionR,LatticeFermion> HermDefOp(Ddwf);
-  Subspace Aggregates(Coarse5d,FGrid);
+  Subspace Aggregates(Coarse5d,FGrid,0);
   //  Aggregates.CreateSubspace(RNG5,HermDefOp,nbasis);
   assert ( (nbasis & 0x1)==0);
   int nb=nbasis/2;
   std::cout<<GridLogMessage << " nbasis/2 = "<<nb<<std::endl;
-  //  Aggregates.CreateSubspace(RNG5,HermDefOp,nb);
-  Aggregates.CreateSubspaceLanczos(RNG5,HermDefOp,nb);
+  Aggregates.CreateSubspace(RNG5,HermDefOp,nb);
+  //  Aggregates.CreateSubspaceLanczos(RNG5,HermDefOp,nb);
   for(int n=0;n<nb;n++){
     G5R5(Aggregates.subspace[n+nb],Aggregates.subspace[n]);
     std::cout<<GridLogMessage<<n<<" subspace "<<norm2(Aggregates.subspace[n+nb])<<" "<<norm2(Aggregates.subspace[n]) <<std::endl;

tests/solver/Test_dwf_mrhs_cg.cc

@@ -52,15 +52,28 @@ int main (int argc, char ** argv)
   GridRedBlackCartesian * rbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
 
-  int nrhs = UGrid->RankCount() ;
-
   /////////////////////////////////////////////
   // Split into 1^4 mpi communicators
   /////////////////////////////////////////////
+  for(int i=0;i<argc;i++){
+    if(std::string(argv[i]) == "--split"){
+      for(int k=0;k<mpi_layout.size();k++){
+	std::stringstream ss; 
+	ss << argv[i+1+k]; 
+	ss >> mpi_split[k];
+      }
+      break;
+    }
+  }
+
+  int nrhs = 1;
+  int me;
+  for(int i=0;i<mpi_layout.size();i++) nrhs *= (mpi_layout[i]/mpi_split[i]);
+
   GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
 						    GridDefaultSimd(Nd,vComplex::Nsimd()),
 						    mpi_split,
-						    *UGrid); 
+						    *UGrid,me); 
 
   GridCartesian         * SFGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,SGrid);
   GridRedBlackCartesian * SrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(SGrid);
@@ -70,7 +83,6 @@ int main (int argc, char ** argv)
   // Set up the problem as a 4d spreadout job
   ///////////////////////////////////////////////
   std::vector<int> seeds({1,2,3,4});
-
   GridParallelRNG pRNG(UGrid );  pRNG.SeedFixedIntegers(seeds);
   GridParallelRNG pRNG5(FGrid);  pRNG5.SeedFixedIntegers(seeds);
   std::vector<FermionField>    src(nrhs,FGrid);
@@ -93,7 +105,7 @@ int main (int argc, char ** argv)
   emptyUserRecord record;
   std::string file("./scratch.scidac");
   std::string filef("./scratch.scidac.ferm");
-  int me = UGrid->ThisRank();
+
   LatticeGaugeField s_Umu(SGrid);
   FermionField s_src(SFGrid);
   FermionField s_src_split(SFGrid);
@@ -169,7 +181,7 @@ int main (int argc, char ** argv)
   for(int n=0;n<nrhs;n++){
     FGrid->Barrier();
     if ( n==me ) {
-      std::cerr << GridLogMessage<<"Split "<< me << " " << norm2(s_src_split) << " " << norm2(s_src)<< " diff " << norm2(s_tmp)<<std::endl;
+      std::cout << GridLogMessage<<"Split "<< me << " " << norm2(s_src_split) << " " << norm2(s_src)<< " diff " << norm2(s_tmp)<<std::endl;
     }
     FGrid->Barrier();
   }
@@ -190,7 +202,7 @@ int main (int argc, char ** argv)
 
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOp(Ddwf);
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOpCk(Dchk);
-  ConjugateGradient<FermionField> CG((1.0e-8/(me+1)),10000);
+  ConjugateGradient<FermionField> CG((1.0e-5/(me+1)),10000);
   s_res = zero;
   CG(HermOp,s_src,s_res);
 
@@ -218,7 +230,6 @@ int main (int argc, char ** argv)
     std::cout << " diff " <<tmp<<std::endl;
   }
   */
-
   std::cout << GridLogMessage<< "Checking the residuals"<<std::endl;
   for(int n=0;n<nrhs;n++){
     HermOpCk.HermOp(result[n],tmp); tmp = tmp - src[n];

tests/solver/Test_dwf_mrhs_cg_mpi.cc

@@ -1,4 +1,4 @@
-    /*************************************************************************************
+   /*************************************************************************************
 
     Grid physics library, www.github.com/paboyle/Grid 
 
@@ -47,20 +47,36 @@ int main (int argc, char ** argv)
   std::vector<int> mpi_layout  = GridDefaultMpi();
   std::vector<int> mpi_split (mpi_layout.size(),1);
 
-  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), 
+								   GridDefaultSimd(Nd,vComplex::Nsimd()),
+								   GridDefaultMpi());
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * rbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
 
-  int nrhs = UGrid->RankCount() ;
-
   /////////////////////////////////////////////
   // Split into 1^4 mpi communicators
   /////////////////////////////////////////////
+
+  for(int i=0;i<argc;i++){
+    if(std::string(argv[i]) == "--split"){
+      for(int k=0;k<mpi_layout.size();k++){
+	std::stringstream ss; 
+	ss << argv[i+1+k]; 
+	ss >> mpi_split[k];
+      }
+      break;
+    }
+  }
+
+  int nrhs = 1;
+  int me;
+  for(int i=0;i<mpi_layout.size();i++) nrhs *= (mpi_layout[i]/mpi_split[i]);
+
   GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
 						    GridDefaultSimd(Nd,vComplex::Nsimd()),
 						    mpi_split,
-						    *UGrid); 
+						    *UGrid,me); 
 
   GridCartesian         * SFGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,SGrid);
   GridRedBlackCartesian * SrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(SGrid);
@@ -78,16 +94,46 @@ int main (int argc, char ** argv)
   std::vector<FermionField> result(nrhs,FGrid);
   FermionField tmp(FGrid);
 
-  for(int s=0;s<nrhs;s++) random(pRNG5,src[s]);
   for(int s=0;s<nrhs;s++) result[s]=zero;
+#undef LEXICO_TEST
+#ifdef LEXICO_TEST
+  {
+    LatticeFermion lex(FGrid);  lex = zero;
+    LatticeFermion ftmp(FGrid);
+    Integer stride =10000;
+    double nrm;
+    LatticeComplex coor(FGrid);
+    for(int d=0;d<5;d++){
+      LatticeCoordinate(coor,d);
+      ftmp = stride;
+      ftmp = ftmp * coor;
+      lex = lex + ftmp;
+      stride=stride/10;
+    }
+    for(int s=0;s<nrhs;s++) {
+      src[s]=lex;
+      ftmp = 1000*1000*s;
+      src[s] = src[s] + ftmp;
+    }    
+  }
+#else
+  for(int s=0;s<nrhs;s++) {
+    random(pRNG5,src[s]);
+    tmp = 100.0*s;
+    src[s] = (src[s] * 0.1) + tmp;
+    std::cout << " src ]"<<s<<"] "<<norm2(src[s])<<std::endl;
+  }
+#endif
+
+  for(int n =0 ; n< nrhs ; n++) { 
+    std::cout << " src"<<n<<"\n"<< src[n] <<std::endl;
+  }
 
   LatticeGaugeField Umu(UGrid); SU3::HotConfiguration(pRNG,Umu);
 
   /////////////////
   // MPI only sends
   /////////////////
-  int me = UGrid->ThisRank();
-
   LatticeGaugeField s_Umu(SGrid);
   FermionField s_src(SFGrid);
   FermionField s_tmp(SFGrid);
@@ -98,6 +144,36 @@ int main (int argc, char ** argv)
   ///////////////////////////////////////////////////////////////
   Grid_split  (Umu,s_Umu);
   Grid_split  (src,s_src);
+  std::cout << " split rank  " <<me << " s_src "<<norm2(s_src)<<std::endl;
+  std::cout << " s_src\n "<< s_src <<std::endl;
+
+#ifdef LEXICO_TEST
+  FermionField s_src_tmp(SFGrid);
+  FermionField s_src_diff(SFGrid);
+  {
+    LatticeFermion lex(SFGrid);  lex = zero;
+    LatticeFermion ftmp(SFGrid);
+    Integer stride =10000;
+    double nrm;
+    LatticeComplex coor(SFGrid);
+    for(int d=0;d<5;d++){
+      LatticeCoordinate(coor,d);
+      ftmp = stride;
+      ftmp = ftmp * coor;
+      lex = lex + ftmp;
+      stride=stride/10;
+    }
+    s_src_tmp=lex;
+    ftmp = 1000*1000*me;
+    s_src_tmp = s_src_tmp + ftmp;
+  }
+  s_src_diff = s_src_tmp - s_src;
+  std::cout << " s_src_diff " << norm2(s_src_diff)<<std::endl;
+
+  std::cout << " s_src \n" << s_src << std::endl;
+  std::cout << " s_src_tmp \n" << s_src_tmp << std::endl;
+  std::cout << " s_src_diff \n" << s_src_diff << std::endl;
+#endif
 
   ///////////////////////////////////////////////////////////////
   // Set up N-solvers as trivially parallel
@@ -113,10 +189,11 @@ int main (int argc, char ** argv)
 
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOp(Ddwf);
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOpCk(Dchk);
-  ConjugateGradient<FermionField> CG((1.0e-8/(me+1)),10000);
+  ConjugateGradient<FermionField> CG((1.0e-5),10000);
   s_res = zero;
   CG(HermOp,s_src,s_res);
 
+  std::cout << " s_res norm "<<norm2(s_res)<<std::endl;
   /////////////////////////////////////////////////////////////
   // Report how long they all took
   /////////////////////////////////////////////////////////////
@@ -134,10 +211,12 @@ int main (int argc, char ** argv)
   std::cout << GridLogMessage<< "Unsplitting the result"<<std::endl;
   Grid_unsplit(result,s_res);
 
+
   std::cout << GridLogMessage<< "Checking the residuals"<<std::endl;
   for(int n=0;n<nrhs;n++){
+    std::cout << " res["<<n<<"] norm "<<norm2(result[n])<<std::endl;
     HermOpCk.HermOp(result[n],tmp); tmp = tmp - src[n];
-    std::cout << GridLogMessage<<" resid["<<n<<"]  "<< norm2(tmp)<<std::endl;
+    std::cout << GridLogMessage<<" resid["<<n<<"]  "<< norm2(tmp)/norm2(src[n])<<std::endl;
   }
 
   Grid_finalize();

tests/solver/Test_dwf_mrhs_cg_mpieo.cc

@@ -47,7 +47,9 @@ int main (int argc, char ** argv)
   std::vector<int> mpi_layout  = GridDefaultMpi();
   std::vector<int> mpi_split (mpi_layout.size(),1);
 
-  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), 
+								   GridDefaultSimd(Nd,vComplex::Nsimd()),
+								   GridDefaultMpi());
   GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
   GridRedBlackCartesian * rbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
   GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
@@ -57,10 +59,11 @@ int main (int argc, char ** argv)
   /////////////////////////////////////////////
   // Split into 1^4 mpi communicators
   /////////////////////////////////////////////
+  int me;
   GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
 						    GridDefaultSimd(Nd,vComplex::Nsimd()),
 						    mpi_split,
-						    *UGrid); 
+						    *UGrid,me); 
 
   GridCartesian         * SFGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,SGrid);
   GridRedBlackCartesian * SrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(SGrid);
@@ -89,8 +92,6 @@ int main (int argc, char ** argv)
   /////////////////
   // MPI only sends
   /////////////////
-  int me = UGrid->ThisRank();
-
   LatticeGaugeField s_Umu(SGrid);
   FermionField s_src(SFGrid);
   FermionField s_src_e(SFrbGrid);

tests/solver/Test_split_grid.cc

@@ -0,0 +1,157 @@
+    /*************************************************************************************
+
+    Grid physics library, www.github.com/paboyle/Grid 
+
+    Source file: ./tests/Test_dwf_mrhs_cg.cc
+
+    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 */
+#include <Grid/Grid.h>
+#include <Grid/algorithms/iterative/BlockConjugateGradient.h>
+
+using namespace std;
+using namespace Grid;
+using namespace Grid::QCD;
+
+int main (int argc, char ** argv)
+{
+  typedef typename DomainWallFermionR::FermionField FermionField; 
+  typedef typename DomainWallFermionR::ComplexField ComplexField; 
+  typename DomainWallFermionR::ImplParams params; 
+
+  const int Ls=4;
+
+  Grid_init(&argc,&argv);
+
+  std::vector<int> latt_size   = GridDefaultLatt();
+  std::vector<int> simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
+  std::vector<int> mpi_layout  = GridDefaultMpi();
+  std::vector<int> mpi_split (mpi_layout.size(),1);
+
+  GridCartesian         * UGrid   = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
+  GridCartesian         * FGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
+  GridRedBlackCartesian * rbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
+  GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
+
+  /////////////////////////////////////////////
+  // Split into 1^4 mpi communicators
+  /////////////////////////////////////////////
+
+  for(int i=0;i<argc;i++){
+    if(std::string(argv[i]) == "--split"){
+      for(int k=0;k<mpi_layout.size();k++){
+	std::stringstream ss; 
+	ss << argv[i+1+k]; 
+	ss >> mpi_split[k];
+      }
+      break;
+    }
+  }
+
+  int nrhs = 1;
+  for(int i=0;i<mpi_layout.size();i++) nrhs *= (mpi_layout[i]/mpi_split[i]);
+
+  GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
+						    GridDefaultSimd(Nd,vComplex::Nsimd()),
+						    mpi_split,
+						    *UGrid); 
+
+  GridCartesian         * SFGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,SGrid);
+  GridRedBlackCartesian * SrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(SGrid);
+  GridRedBlackCartesian * SFrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,SGrid);
+
+  ///////////////////////////////////////////////
+  // Set up the problem as a 4d spreadout job
+  ///////////////////////////////////////////////
+  std::vector<int> seeds({1,2,3,4});
+
+  GridParallelRNG pRNG(UGrid );  pRNG.SeedFixedIntegers(seeds);
+  GridParallelRNG pRNG5(FGrid);  pRNG5.SeedFixedIntegers(seeds);
+  std::vector<FermionField>    src(nrhs,FGrid);
+  std::vector<FermionField> src_chk(nrhs,FGrid);
+  std::vector<FermionField> result(nrhs,FGrid);
+  FermionField tmp(FGrid);
+
+  for(int s=0;s<nrhs;s++) random(pRNG5,src[s]);
+  for(int s=0;s<nrhs;s++) result[s]=zero;
+
+  LatticeGaugeField Umu(UGrid); SU3::HotConfiguration(pRNG,Umu);
+
+  /////////////////
+  // MPI only sends
+  /////////////////
+  int me = UGrid->ThisRank();
+
+  LatticeGaugeField s_Umu(SGrid);
+  FermionField s_src(SFGrid);
+  FermionField s_tmp(SFGrid);
+  FermionField s_res(SFGrid);
+
+  ///////////////////////////////////////////////////////////////
+  // split the source out using MPI instead of I/O
+  ///////////////////////////////////////////////////////////////
+  Grid_split  (Umu,s_Umu);
+  Grid_split  (src,s_src);
+
+  ///////////////////////////////////////////////////////////////
+  // Set up N-solvers as trivially parallel
+  ///////////////////////////////////////////////////////////////
+  RealD mass=0.01;
+  RealD M5=1.8;
+  DomainWallFermionR Dchk(Umu,*FGrid,*FrbGrid,*UGrid,*rbGrid,mass,M5);
+  DomainWallFermionR Ddwf(s_Umu,*SFGrid,*SFrbGrid,*SGrid,*SrbGrid,mass,M5);
+
+  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
+  std::cout << GridLogMessage << " Calling DWF CG "<<std::endl;
+  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
+
+  MdagMLinearOperator<DomainWallFermionR,FermionField> HermOp(Ddwf);
+  MdagMLinearOperator<DomainWallFermionR,FermionField> HermOpCk(Dchk);
+  ConjugateGradient<FermionField> CG((1.0e-8/(me+1)),10000);
+  s_res = zero;
+  CG(HermOp,s_src,s_res);
+
+  /////////////////////////////////////////////////////////////
+  // Report how long they all took
+  /////////////////////////////////////////////////////////////
+  std::vector<uint32_t> iterations(nrhs,0);
+  iterations[me] = CG.IterationsToComplete;
+
+  for(int n=0;n<nrhs;n++){
+    UGrid->GlobalSum(iterations[n]);
+    std::cout << GridLogMessage<<" Rank "<<n<<" "<< iterations[n]<<" CG iterations"<<std::endl;
+  }
+
+  /////////////////////////////////////////////////////////////
+  // Gather and residual check on the results
+  /////////////////////////////////////////////////////////////
+  std::cout << GridLogMessage<< "Unsplitting the result"<<std::endl;
+  Grid_unsplit(result,s_res);
+
+  std::cout << GridLogMessage<< "Checking the residuals"<<std::endl;
+  for(int n=0;n<nrhs;n++){
+    HermOpCk.HermOp(result[n],tmp); tmp = tmp - src[n];
+    std::cout << GridLogMessage<<" resid["<<n<<"]  "<< norm2(tmp)<<std::endl;
+  }
+
+  Grid_finalize();
+}