Changing boundary phase to be always double

extras/Hadrons/Modules/MAction/DWF.hpp

@@ -117,7 +117,7 @@ void TDWF<FImpl>::setup(void)
     auto &grb4 = *env().getRbGrid();
     auto &g5   = *env().getGrid(par().Ls);
     auto &grb5 = *env().getRbGrid(par().Ls);
-    std::vector<Complex> boundary = strToVec<Complex>(par().boundary);
+    std::vector<ComplexD> boundary = strToVec<ComplexD>(par().boundary);
     typename DomainWallFermion<FImpl>::ImplParams implParams(boundary);
     envCreateDerived(FMat, DomainWallFermion<FImpl>, getName(), par().Ls, U, g5,
                      grb5, g4, grb4, par().mass, par().M5, implParams);

extras/Hadrons/Modules/MAction/Wilson.hpp

@@ -110,7 +110,7 @@ void TWilson<FImpl>::setup(void)
     auto &U      = envGet(LatticeGaugeField, par().gauge);
     auto &grid   = *env().getGrid();
     auto &gridRb = *env().getRbGrid();
-    std::vector<Complex> boundary = strToVec<Complex>(par().boundary);
+    std::vector<ComplexD> boundary = strToVec<ComplexD>(par().boundary);
     typename WilsonFermion<FImpl>::ImplParams implParams(boundary);
     envCreateDerived(FMat, WilsonFermion<FImpl>, getName(), 1, U, grid, gridRb,
                      par().mass, implParams);

extras/Hadrons/Modules/MAction/WilsonClover.hpp

@@ -121,7 +121,7 @@ void TWilsonClover<FImpl>::setup(void)
     auto &U      = envGet(LatticeGaugeField, par().gauge);
     auto &grid   = *env().getGrid();
     auto &gridRb = *env().getRbGrid();
-    std::vector<Complex> boundary = strToVec<Complex>(par().boundary);
+    std::vector<ComplexD> boundary = strToVec<ComplexD>(par().boundary);
     typename WilsonCloverFermion<FImpl>::ImplParams implParams(boundary);
     envCreateDerived(FMat, WilsonCloverFermion<FImpl>, getName(), 1, U, grid, gridRb, par().mass,
 						  par().csw_r,

lib/algorithms/iterative/BlockConjugateGradient.h

@@ -33,7 +33,7 @@ directory
 
 namespace Grid {
 
-enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS };
+enum BlockCGtype { BlockCG, BlockCGrQ, CGmultiRHS, BlockCGVec };
 
 //////////////////////////////////////////////////////////////////////////
 // Block conjugate gradient. Dimension zero should be the block direction
@@ -54,9 +54,10 @@ class BlockConjugateGradient : public OperatorFunction<Field> {
   RealD Tolerance;
   Integer MaxIterations;
   Integer IterationsToComplete; //Number of iterations the CG took to finish. Filled in upon completion
+  Integer PrintInterval; //GridLogMessages or Iterative
   
   BlockConjugateGradient(BlockCGtype cgtype,int _Orthog,RealD tol, Integer maxit, bool err_on_no_conv = true)
-    : Tolerance(tol), CGtype(cgtype),   blockDim(_Orthog),  MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv)
+    : Tolerance(tol), CGtype(cgtype),   blockDim(_Orthog),  MaxIterations(maxit), ErrorOnNoConverge(err_on_no_conv),PrintInterval(100)
   {};
 
 ////////////////////////////////////////////////////////////////////////////////////////////////////
@@ -127,6 +128,14 @@ void operator()(LinearOperatorBase<Field> &Linop, const Field &Src, Field &Psi)
     assert(0);
   }
 }
+void operator()(LinearOperatorBase<Field> &Linop, const std::vector<Field> &Src, std::vector<Field> &Psi) 
+{
+  if ( CGtype == BlockCGVec ) {
+    BlockCGVecsolve(Linop,Src,Psi);
+  } else {
+    assert(0);
+  }
+}
 
 ////////////////////////////////////////////////////////////////////////////
 // BlockCGrQ implementation:
@@ -600,6 +609,272 @@ void CGmultiRHSsolve(LinearOperatorBase<Field> &Linop, const Field &Src, Field &
   IterationsToComplete = k;
 }
 
+void InnerProductMatrix(Eigen::MatrixXcd &m , const std::vector<Field> &X, std::vector<Field> &Y){
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<Nblock;bp++) {
+    m(b,bp) = innerProduct(X[b],Y[bp]);  
+    }
+}
+double HermCheck( Eigen::MatrixXcd &m,  const std::string &str, int ForceHerm=1 , int Print = 0) {
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<=b;bp++) {
+    if(Print)
+    std::cout<<GridLogMessage << "HermCheck "<<str<<" "<<b<<" "<<bp<<" : "<< m(b,bp) <<" "<<conj(m(bp,b))<<" " <<m(b,bp)-conj(m(bp,b)) <<std::endl;
+    if(ForceHerm){
+      if(b==bp) m(b,b) = real(m(b,b));
+      else{
+        auto temp = 0.5*(m(b,bp)+conj(m(bp,b)));
+	m(b,bp) = temp;
+        m(bp,b) = conj(temp);
+      }
+    }
+  }
+}
+
+void BlockCGVecsolve(LinearOperatorBase<Field> &Linop, const std::vector<Field> &Src, std::vector<Field> &Psi) 
+{
+//  int Orthog = blockDim; // First dimension is block dim; this is an assumption
+//  Nblock = Src._grid->_fdimensions[Orthog];
+  Nblock = Src.size();
+  assert(Nblock == Psi.size());
+
+  std::cout<<GridLogMessage<<" Block Conjugate Gradient :  Nblock "<<Nblock<<std::endl;
+
+  for(int b=0;b<Nblock;b++){
+  Psi[b].checkerboard = Src[0].checkerboard;
+  conformable(Psi[b], Src[b]);
+  }
+
+  Field Fake(Src[0]);
+
+  std::vector<Field> P(Nblock,Fake);
+// P.resize(Nblock);
+  std::vector<Field> AP(Nblock,Fake); 
+//AP.resize(Nblock);
+  std::vector<Field> R(Nblock,Fake); 
+  std::vector<Field> TMP(Nblock,Fake); 
+//R.resize(Nblock);
+  
+  Eigen::MatrixXcd m_pAp    = Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_pAp_inv= Eigen::MatrixXcd::Identity(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr     = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_rr_inv = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  Eigen::MatrixXcd m_alpha      = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+  Eigen::MatrixXcd m_beta   = Eigen::MatrixXcd::Zero(Nblock,Nblock);
+
+  // Initial residual computation & set up
+  std::vector<RealD> residuals(Nblock);
+  std::vector<RealD> ssq(Nblock);
+
+//  sliceNorm(ssq,Src,Orthog);
+  for(int b=0;b<Nblock;b++){ ssq[b] = norm2(Src[b]);}
+  RealD sssum=0;
+  for(int b=0;b<Nblock;b++) sssum+=ssq[b];
+
+//  sliceNorm(residuals,Src,Orthog);
+  for(int b=0;b<Nblock;b++){ residuals[b] = norm2(Src[b]);}
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+//  sliceNorm(residuals,Psi,Orthog);
+  for(int b=0;b<Nblock;b++){ residuals[b] = norm2(Psi[b]);}
+  for(int b=0;b<Nblock;b++){ assert(std::isnan(residuals[b])==0); }
+
+  // Initial search dir is guess
+  for(int b=0;b<Nblock;b++) Linop.HermOp(Psi[b], AP[b]);
+  for(int b=0;b<Nblock;b++) 
+  std::cout << b << " Psi " << norm2(Psi[b]) <<" AP "<<norm2(AP[b])<<std::endl;
+  
+
+  /************************************************************************
+   * Block conjugate gradient (Stephen Pickles, thesis 1995, pp 71, O Leary 1980)
+   ************************************************************************
+   * O'Leary : R = B - A X
+   * O'Leary : P = M R ; preconditioner M = 1
+   * O'Leary : alpha = PAP^{-1} RMR
+   * O'Leary : beta  = RMR^{-1}_old RMR_new
+   * O'Leary : X=X+Palpha
+   * O'Leary : R_new=R_old-AP alpha
+   * O'Leary : P=MR_new+P beta
+   */
+
+  for(int b=0;b<Nblock;b++){
+  R[b] = Src[b] - AP[b]; //R_0  
+  P[b] = R[b];  // P_1
+  }
+//  sliceInnerProductMatrix(m_rr,R,R,Orthog);
+  InnerProductMatrix(m_rr,R,R);
+  HermCheck(m_rr, "R_0 R_0",1,1);
+  HermCheck(m_rr, "R_0 R_0",0,1);
+#if 0
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<Nblock;bp++) {
+    m_rr(b,bp) = innerProduct(R[b],R[bp]);  
+    std::cout << 0 <<" : R_0 R_0 "<< b <<" "<<bp<<" "<<innerProduct(R[b],R[bp]) <<std::endl;
+  }
+#endif
+
+  GridStopWatch sliceInnerTimer;
+  GridStopWatch sliceMaddTimer;
+  GridStopWatch MatrixTimer;
+  GridStopWatch SolverTimer;
+  SolverTimer.Start();
+
+  int k;
+  int if_print =0;
+  for (k = 1; k <= MaxIterations; k++) {
+
+    RealD rrsum=0;
+    for(int b=0;b<Nblock;b++) rrsum+=real(m_rr(b,b));
+
+    if(PrintInterval && (k%PrintInterval)==0){  
+	if_print=1;
+       std::cout << GridLogMessage << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
+	      <<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
+    } else {
+    if_print=0;
+    std::cout << GridLogIterative << "\titeration "<<k<<" rr_sum "<<rrsum<<" ssq_sum "<< sssum
+	      <<" / "<<std::sqrt(rrsum/sssum) <<std::endl;
+    }
+
+    MatrixTimer.Start();
+    for(int b=0;b<Nblock;b++) Linop.HermOp(P[b], AP[b]);
+    MatrixTimer.Stop();
+
+    // Alpha
+    sliceInnerTimer.Start();
+ //   sliceInnerProductMatrix(m_pAp,P,AP,Orthog);
+  InnerProductMatrix(m_pAp,P,AP);
+  HermCheck(m_pAp, "P AP",1,if_print);
+  if(if_print) HermCheck(m_pAp, "P AP",0,if_print);
+#if 0
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<Nblock;bp++) {
+    m_pAp(b,bp) = innerProduct(P[b],AP[bp]);  
+    std::cout << k <<" : m_pAp "<< b <<" "<<bp<<" "<<innerProduct(P[b],AP[bp]) <<std::endl;
+  }
+#endif
+    sliceInnerTimer.Stop();
+    m_pAp_inv = m_pAp.inverse();
+  HermCheck(m_pAp_inv, "inv (P AP)",1,if_print);
+  if(if_print) HermCheck(m_pAp_inv, "inv (P AP)",0,if_print);
+if(if_print)
+{
+    m_alpha = m_pAp*m_pAp_inv;
+  for(int b=0;b<Nblock;b++){
+  for(int bp=0;bp<Nblock;bp++) {
+    std::cout << k <<" : pAp*pAp_inv "<< b <<" "<<bp<<" "<<m_alpha(b,bp)<<std::endl;
+  }
+  }
+}
+    m_alpha   = m_pAp_inv * m_rr ; //alpha_k+1 = (P_k+1^t A P_k+1)^-1 (R_k^t R_k)
+
+    // Psi, R update
+    sliceMaddTimer.Start();
+//    sliceMaddMatrix(Psi,m_alpha, P,Psi,Orthog);     // X_k+1=X_k+P_k+1 alpha_k+1
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<Nblock;bp++) {
+    Psi[b] += m_alpha(bp,b)*P[bp];  // X_k+1 = X_k + P_k+1 alpha_k+1
+  }
+
+  for(int b=0;b<Nblock;b++) TMP[b] = R[b];
+//    sliceMaddMatrix(R  ,m_alpha,AP,  R,Orthog,-1.0);// sub alpha * AP to resid
+  for(int b=0;b<Nblock;b++)
+  for(int bp=0;bp<Nblock;bp++) {
+    R[b] -= m_alpha(bp,b)*AP[bp];  // R_k+1 = R_k - AP_k+1 alpha_k+1
+  }
+    sliceMaddTimer.Stop();
+if(if_print)
+{
+//check
+  for(int b=0;b<Nblock;b++){
+  for(int bp=0;bp<Nblock;bp++) {
+    std::cout << k <<" : R_k+1 R_k "<< b <<" "<<bp<<" "<<innerProduct(R[b],TMP[bp]) <<std::endl;
+    std::cout << k <<" : R_k R_k "<< b <<" "<<bp<<" "<<innerProduct(TMP[b],TMP[bp]) <<std::endl;
+  }
+  }
+}
+
+    // Beta
+    m_rr_inv = m_rr.inverse(); //m_rr_inv = (R_k^t R_k)^-1
+    HermCheck(m_rr_inv,"m_rr_inv",1,if_print);
+    if(if_print) HermCheck(m_rr_inv,"m_rr_inv",0,if_print);
+    sliceInnerTimer.Start();
+//    sliceInnerProductMatrix(m_rr,R,R,Orthog);
+    InnerProductMatrix(m_rr,R,R);
+  HermCheck(m_rr,"m_rr",1,if_print);
+  if(if_print) HermCheck(m_rr,"m_rr",0,if_print);
+    sliceInnerTimer.Stop();
+    m_beta = m_rr_inv *m_rr; // beta_k+2 = (R_k^t R_k)^-1 (R_k+1^5 R_k+1)
+//  HermCheck(m_beta,"m_beta");
+
+    // Search update
+    sliceMaddTimer.Start();
+//    sliceMaddMatrix(AP,m_beta,P,R,Orthog);
+  for(int b=0;b<Nblock;b++){
+    AP[b] = R[b];
+  for(int bp=0;bp<Nblock;bp++) {
+    AP[b] += m_beta(bp,b)*P[bp]; //AP = R_k+1 + P_k+1 beta_k+1
+  }
+  }
+if(if_print)
+{
+//check
+    for(int b=0;b<Nblock;b++) Linop.HermOp(P[b], TMP[b]);
+  for(int b=0;b<Nblock;b++){
+  for(int bp=0;bp<Nblock;bp++) {
+    std::cout << k <<" : P_k+2 A P "<< b <<" "<<bp<<" "<<innerProduct(AP[b],TMP[bp]) <<std::endl;
+  }
+  }
+}
+    sliceMaddTimer.Stop();
+  for(int b=0;b<Nblock;b++) P[b]= AP[b]; //P_k+2 = AP
+
+    /*********************
+     * convergence monitor
+     *********************
+     */
+    RealD max_resid=0;
+    RealD rr;
+    for(int b=0;b<Nblock;b++){
+      rr = real(m_rr(b,b))/ssq[b];
+      if ( rr > max_resid ) max_resid = rr;
+    }
+    
+    if ( max_resid < Tolerance*Tolerance ) { 
+
+      SolverTimer.Stop();
+
+      std::cout << GridLogMessage<<"BlockCG converged in "<<k<<" iterations"<<std::endl;
+      for(int b=0;b<Nblock;b++){
+	std::cout << GridLogMessage<< "\t\tblock "<<b<<" computed resid "
+		  << std::sqrt(real(m_rr(b,b))/ssq[b])<<std::endl;
+      }
+	      std::cout << GridLogMessage<<"\tMax residual is "<<std::sqrt(max_resid)<<std::endl;
+
+	  for(int b=0;b<Nblock;b++) { 
+	      Linop.HermOp(Psi[b], AP[b]);
+	AP[b] = AP[b]-Src[b];
+	      std::cout << GridLogMessage <<"\t True residual is " << b<<" "<<std::sqrt(norm2(AP[b])/norm2(Src[b])) <<std::endl;
+}
+
+      std::cout << GridLogMessage << "Time Breakdown "<<std::endl;
+      std::cout << GridLogMessage << "\tElapsed    " << SolverTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tMatrix     " << MatrixTimer.Elapsed()     <<std::endl;
+      std::cout << GridLogMessage << "\tInnerProd  " << sliceInnerTimer.Elapsed() <<std::endl;
+      std::cout << GridLogMessage << "\tMaddMatrix " << sliceMaddTimer.Elapsed()  <<std::endl;
+	    
+      IterationsToComplete = k;
+      return;
+    }
+
+  }
+  std::cout << GridLogMessage << "BlockConjugateGradient did NOT converge" << std::endl;
+
+  if (ErrorOnNoConverge) assert(0);
+  IterationsToComplete = k;
+}
+
 };
 
 }

lib/cartesian/Cartesian_red_black.h

@@ -179,6 +179,10 @@ public:
       assert(checker_dim_mask.size() == _ndimension);
       assert(processor_grid.size() == _ndimension);
       assert(simd_layout.size() == _ndimension);
+         std::cout <<"dimensions processor_grid simd_layout checker_dim_mask"<<std::endl;
+      for(int i=0;i<_ndimension;i++){
+         std::cout <<i << " "<<dimensions[i]<<" "<<processor_grid[i]<<" "<< simd_layout[i]<<" "<< checker_dim_mask[i]<<std::endl;
+      }
 
       _fdimensions.resize(_ndimension);
       _gdimensions.resize(_ndimension);

lib/qcd/action/ActionParams.h

@@ -44,11 +44,11 @@ namespace QCD {
   
   struct WilsonImplParams {
     bool overlapCommsCompute;
-    std::vector<Complex> boundary_phases;
+    std::vector<ComplexD> boundary_phases;
     WilsonImplParams() : overlapCommsCompute(false) {
       boundary_phases.resize(Nd, 1.0);
     };
-    WilsonImplParams(const std::vector<Complex> phi)
+    WilsonImplParams(const std::vector<ComplexD> phi)
       : boundary_phases(phi), overlapCommsCompute(false) {}
   };
 

tests/solver/Test_dwf_mrhs_cg.cc

@@ -68,6 +68,7 @@ int main (int argc, char ** argv)
 
   int nrhs = 1;
   int me;
+  for(int i=0;i<mpi_layout.size();i++) cout <<" node split = "<<mpi_layout[i]<<" "<<mpi_split[i]<<endl;
   for(int i=0;i<mpi_layout.size();i++) nrhs *= (mpi_layout[i]/mpi_split[i]);
 
   GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
@@ -99,12 +100,6 @@ int main (int argc, char ** argv)
   // Bounce these fields to disk
   ///////////////////////////////////////////////////////////////
 
-  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-  std::cout << GridLogMessage << " Writing out in parallel view "<<std::endl;
-  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-  emptyUserRecord record;
-  std::string file("./scratch.scidac");
-  std::string filef("./scratch.scidac.ferm");
 
   LatticeGaugeField s_Umu(SGrid);
   FermionField s_src(SFGrid);
@@ -114,57 +109,10 @@ int main (int argc, char ** argv)
 
   {
     FGrid->Barrier();
-    ScidacWriter _ScidacWriter(FGrid->IsBoss());
-    _ScidacWriter.open(file);
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    std::cout << GridLogMessage << " Writing out gauge field "<<std::endl;
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    _ScidacWriter.writeScidacFieldRecord(Umu,record);
-    _ScidacWriter.close();
-    FGrid->Barrier();
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    std::cout << GridLogMessage << " Reading in gauge field "<<std::endl;
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    ScidacReader  _ScidacReader;
-    _ScidacReader.open(file);
-    _ScidacReader.readScidacFieldRecord(s_Umu,record);
-    _ScidacReader.close();
-    FGrid->Barrier();
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    std::cout << GridLogMessage << " Read in gauge field "<<std::endl;
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
   }
 
 
   {
-    for(int n=0;n<nrhs;n++){
-
-      std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-      std::cout << GridLogMessage << " Writing out record "<<n<<std::endl;
-      std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-
-      std::stringstream filefn;      filefn << filef << "."<< n;
-      ScidacWriter _ScidacWriter(FGrid->IsBoss());
-      _ScidacWriter.open(filefn.str());
-      _ScidacWriter.writeScidacFieldRecord(src[n],record);
-      _ScidacWriter.close();
-    }
-      
-    FGrid->Barrier();
-
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-    std::cout << GridLogMessage << " Reading back in the single process view "<<std::endl;
-    std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
-      
-    for(int n=0;n<nrhs;n++){
-      if ( n==me ) { 
-	std::stringstream filefn;	filefn << filef << "."<< n;
-	ScidacReader  _ScidacReader;
-	_ScidacReader.open(filefn.str());
-	_ScidacReader.readScidacFieldRecord(s_src,record);
-	_ScidacReader.close();
-      }
-    }
     FGrid->Barrier();
   }
 

tests/solver/Test_dwf_mrhs_cg_mpi.cc

@@ -38,7 +38,7 @@ int main (int argc, char ** argv)
   typedef typename DomainWallFermionR::ComplexField ComplexField; 
   typename DomainWallFermionR::ImplParams params; 
 
-  const int Ls=4;
+  const int Ls=8;
 
   Grid_init(&argc,&argv);
 
@@ -69,6 +69,8 @@ int main (int argc, char ** argv)
     }
   }
 
+ 
+  double stp = 1.e-5;
   int nrhs = 1;
   int me;
   for(int i=0;i<mpi_layout.size();i++) nrhs *= (mpi_layout[i]/mpi_split[i]);
@@ -90,7 +92,7 @@ int main (int argc, char ** argv)
   ///////////////////////////////////////////////
   std::vector<int> seeds({1,2,3,4});
 
-  std::vector<FermionField>    src(nrhs,FGrid);
+  std::vector<FermionField> src(nrhs,FGrid);
   std::vector<FermionField> src_chk(nrhs,FGrid);
   std::vector<FermionField> result(nrhs,FGrid);
   FermionField tmp(FGrid);
@@ -123,25 +125,34 @@ int main (int argc, char ** argv)
   for(int s=0;s<nrhs;s++) {
     random(pRNG5,src[s]);
     tmp = 10.0*s;
-    src[s] = (src[s] * 0.1) + tmp;
+//    src[s] = (src[s] * 0.1) + tmp;
     std::cout << GridLogMessage << " src ["<<s<<"] "<<norm2(src[s])<<std::endl;
   }
 #endif
   std::cout << GridLogMessage << "Intialised the Fermion Fields"<<std::endl;
 
   LatticeGaugeField Umu(UGrid); 
-  if(1) { 
+  FieldMetaData header;
+    std::string file("./lat.in");
+    SU3::ColdConfiguration(Umu);
+    std::cout << GridLogMessage << "Intialised the COLD Gauge Field"<<std::endl;
+  if(0) { 
+    NerscIO::readConfiguration(Umu,header,file);
+    std::cout << GridLogMessage << " "<<file<<" successfully read" <<std::endl;
+  } else {
     GridParallelRNG pRNG(UGrid );  
     std::cout << GridLogMessage << "Intialising 4D RNG "<<std::endl;
     pRNG.SeedFixedIntegers(seeds);
     std::cout << GridLogMessage << "Intialised 4D RNG "<<std::endl;
     SU3::HotConfiguration(pRNG,Umu);
     std::cout << GridLogMessage << "Intialised the HOT Gauge Field"<<std::endl;
-    //    std::cout << " Site zero "<< Umu._odata[0]   <<std::endl;
-  } else { 
-    SU3::ColdConfiguration(Umu);
-    std::cout << GridLogMessage << "Intialised the COLD Gauge Field"<<std::endl;
-  }
+    std::cout << " Site zero "<< Umu._odata[0]   <<std::endl;
+  } 
+   int precision32 = 0;
+   int tworow      = 0;
+   std::string file2("./lat.out");
+   NerscIO::writeConfiguration(Umu,file2,tworow,precision32);
+   std::cout << GridLogMessage << " Successfully saved to " <<file2 <<std::endl;
   /////////////////
   // MPI only sends
   /////////////////
@@ -197,9 +208,9 @@ int main (int argc, char ** argv)
 
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOp(Ddwf);
   MdagMLinearOperator<DomainWallFermionR,FermionField> HermOpCk(Dchk);
-  ConjugateGradient<FermionField> CG((1.0e-2),10000);
+  ConjugateGradient<FermionField> CG((stp),10000);
   s_res = zero;
-  CG(HermOp,s_src,s_res);
+//  CG(HermOp,s_src,s_res);
 
   std::cout << GridLogMessage << " split residual norm "<<norm2(s_res)<<std::endl;
   /////////////////////////////////////////////////////////////
@@ -227,5 +238,15 @@ int main (int argc, char ** argv)
     std::cout << GridLogMessage<<" resid["<<n<<"]  "<< norm2(tmp)/norm2(src[n])<<std::endl;
   }
 
+  for(int s=0;s<nrhs;s++) result[s]=zero;
+
+  int blockDim = 0;//not used for BlockCGVec
+  BlockConjugateGradient<FermionField>    BCGV  (BlockCGVec,blockDim,stp,10000);
+  BCGV.PrintInterval=10;
+{
+  BCGV(HermOpCk,src,result);
+}
+
+
   Grid_finalize();
 }

tests/solver/Test_mobius_bcg.cc

@@ -0,0 +1,277 @@
+   /*************************************************************************************
+
+    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 MobiusFermionR::FermionField FermionField; 
+  typedef typename MobiusFermionR::ComplexField ComplexField; 
+  typename MobiusFermionR::ImplParams params; 
+
+  const int Ls=12;
+
+  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);
+  std::vector<int> split_coor (mpi_layout.size(),1);
+  std::vector<int> split_dim (mpi_layout.size(),1);
+
+  std::vector<ComplexD> boundary_phases(Nd,1.);
+  boundary_phases[Nd-1]=-1.;
+  params.boundary_phases = boundary_phases;
+
+  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;
+    }
+  }
+
+ 
+  double stp = 1.e-5;
+  int nrhs = 1;
+  int me;
+  for(int i=0;i<mpi_layout.size();i++){
+//	split_dim[i] = (mpi_layout[i]/mpi_split[i]);
+	nrhs *= (mpi_layout[i]/mpi_split[i]);
+//	split_coor[i] = FGrid._processor_coor[i]/mpi_split[i];
+  }
+  std::cout << GridLogMessage << "Creating split grids " <<std::endl;
+  GridCartesian         * SGrid = new GridCartesian(GridDefaultLatt(),
+						    GridDefaultSimd(Nd,vComplex::Nsimd()),
+						    mpi_split,
+						    *UGrid,me); 
+  std::cout << GridLogMessage <<"Creating split ferm grids " <<std::endl;
+
+  GridCartesian         * SFGrid   = SpaceTimeGrid::makeFiveDimGrid(Ls,SGrid);
+  std::cout << GridLogMessage <<"Creating split rb grids " <<std::endl;
+  GridRedBlackCartesian * SrbGrid  = SpaceTimeGrid::makeFourDimRedBlackGrid(SGrid);
+  std::cout << GridLogMessage <<"Creating split ferm rb grids " <<std::endl;
+  GridRedBlackCartesian * SFrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,SGrid);
+  std::cout << GridLogMessage << "Made the grids"<<std::endl;
+  ///////////////////////////////////////////////
+  // Set up the problem as a 4d spreadout job
+  ///////////////////////////////////////////////
+  std::vector<int> seeds({1,2,3,4});
+
+  std::vector<FermionField> src(nrhs,FGrid);
+  std::vector<FermionField> src_chk(nrhs,FGrid);
+  std::vector<FermionField> result(nrhs,FGrid);
+  FermionField tmp(FGrid);
+  std::cout << GridLogMessage << "Made the Fermion Fields"<<std::endl;
+
+  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
+  GridParallelRNG pRNG5(FGrid);  pRNG5.SeedFixedIntegers(seeds);
+  for(int s=0;s<nrhs;s++) {
+    random(pRNG5,src[s]);
+    tmp = 10.0*s;
+//    src[s] = (src[s] * 0.1) + tmp;
+    std::cout << GridLogMessage << " src ["<<s<<"] "<<norm2(src[s])<<std::endl;
+  }
+#endif
+  std::cout << GridLogMessage << "Intialised the Fermion Fields"<<std::endl;
+
+  LatticeGaugeField Umu(UGrid); 
+  FieldMetaData header;
+    std::string file("./lat.in.32IDfine");
+    SU3::ColdConfiguration(Umu);
+    std::cout << GridLogMessage << "Intialised the COLD Gauge Field"<<std::endl;
+  if(1) { 
+    NerscIO::readConfiguration(Umu,header,file);
+    std::cout << GridLogMessage << " "<<file<<" successfully read" <<std::endl;
+  } else {
+    GridParallelRNG pRNG(UGrid );  
+    std::cout << GridLogMessage << "Intialising 4D RNG "<<std::endl;
+    pRNG.SeedFixedIntegers(seeds);
+    std::cout << GridLogMessage << "Intialised 4D RNG "<<std::endl;
+    SU3::HotConfiguration(pRNG,Umu);
+    std::cout << GridLogMessage << "Intialised the HOT Gauge Field"<<std::endl;
+    std::cout << " Site zero "<< Umu._odata[0]   <<std::endl;
+  } 
+   int precision32 = 0;
+   int tworow      = 0;
+   std::string file2("./lat.out");
+   NerscIO::writeConfiguration(Umu,file2,tworow,precision32);
+   std::cout << GridLogMessage << " Successfully saved to " <<file2 <<std::endl;
+  /////////////////
+  // MPI only sends
+  /////////////////
+  LatticeGaugeField s_Umu(SGrid);
+  FermionField s_src(SFGrid);
+  FermionField s_tmp(SFGrid);
+  FermionField s_res(SFGrid);
+
+  std::cout << GridLogMessage << "Made the split grid fields"<<std::endl;
+  ///////////////////////////////////////////////////////////////
+  // split the source out using MPI instead of I/O
+  ///////////////////////////////////////////////////////////////
+  Grid_split  (Umu,s_Umu);
+  Grid_split  (src,s_src);
+  std::cout << GridLogMessage << " split rank  " <<me << " s_src "<<norm2(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 << GridLogMessage <<" LEXICO test:  s_src_diff " << norm2(s_src_diff)<<std::endl;
+#endif
+
+  ///////////////////////////////////////////////////////////////
+  // Set up N-solvers as trivially parallel
+  ///////////////////////////////////////////////////////////////
+  std::cout << GridLogMessage << " Building the solvers"<<std::endl;
+  RealD mass=0.00107;
+//  RealD mass=0.01;
+  RealD M5=1.8;
+  RealD mobius_factor=32./12.;
+  RealD mobius_b=0.5*(mobius_factor+1.);
+  RealD mobius_c=0.5*(mobius_factor-1.);
+  MobiusFermionR Dchk(Umu,*FGrid,*FrbGrid,*UGrid,*rbGrid,mass,M5,mobius_b,mobius_c,params);
+  MobiusFermionR Ddwf(s_Umu,*SFGrid,*SFrbGrid,*SGrid,*SrbGrid,mass,M5,mobius_b,mobius_c,params);
+
+  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
+  std::cout << GridLogMessage << " Calling DWF CG "<<std::endl;
+  std::cout << GridLogMessage << "****************************************************************** "<<std::endl;
+
+  MdagMLinearOperator<MobiusFermionR,FermionField> HermOp(Ddwf);
+  MdagMLinearOperator<MobiusFermionR,FermionField> HermOpCk(Dchk);
+  ConjugateGradient<FermionField> CG((stp),100000);
+  s_res = zero;
+if(0){
+//  CG(HermOp,s_src,s_res);
+
+  std::cout << GridLogMessage << " split residual norm "<<norm2(s_res)<<std::endl;
+  /////////////////////////////////////////////////////////////
+  // 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++){
+    std::cout << GridLogMessage<< " res["<<n<<"] norm "<<norm2(result[n])<<std::endl;
+    HermOpCk.HermOp(result[n],tmp); tmp = tmp - src[n];
+    std::cout << GridLogMessage<<" resid["<<n<<"]  "<< norm2(tmp)/norm2(src[n])<<std::endl;
+  }
+}
+
+// faking enlarged/cooperative CG
+if(0){
+    std::cout << GridLogMessage<<" Trying blocking enlarged CG" <<std::endl;
+  assert(me < nrhs);
+  if (me>0) src[me] = src[0];
+  for(int s=0;s<nrhs;s++){
+     result[s]=zero;
+     if(s!=me) src[s] = zero;
+  }
+}
+
+  int blockDim = 0;//not used for BlockCGVec
+  BlockConjugateGradient<FermionField>    BCGV  (BlockCGVec,blockDim,stp,100000);
+  BCGV.PrintInterval=10;
+{
+  BCGV(HermOpCk,src,result);
+}
+
+
+  Grid_finalize();
+}