Merge branch 'develop' into feature/hmc_generalise

lib/GridCore.h

@@ -38,28 +38,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 #ifndef GRID_BASE_H
 #define GRID_BASE_H
 
-///////////////////
-// Std C++ dependencies
-///////////////////
-#include <cassert>
-#include <complex>
-#include <vector>
-#include <iostream>
-#include <iomanip>
-#include <random>
-#include <functional>
-#include <stdio.h>
-#include <stdlib.h>
-#include <stdio.h>
-#include <signal.h>
-#include <ctime>
-#include <sys/time.h>
-#include <chrono>
-
-///////////////////
-// Grid headers
-///////////////////
-#include "Config.h"
+#include <Grid/GridStd.h>
 
 #include <Grid/perfmon/Timer.h>
 #include <Grid/perfmon/PerfCount.h>

lib/GridStd.h

@@ -0,0 +1,27 @@
+#ifndef GRID_STD_H
+#define GRID_STD_H
+
+///////////////////
+// Std C++ dependencies
+///////////////////
+#include <cassert>
+#include <complex>
+#include <vector>
+#include <iostream>
+#include <iomanip>
+#include <random>
+#include <functional>
+#include <stdio.h>
+#include <stdlib.h>
+#include <stdio.h>
+#include <signal.h>
+#include <ctime>
+#include <sys/time.h>
+#include <chrono>
+
+///////////////////
+// Grid config
+///////////////////
+#include "Config.h"
+
+#endif /* GRID_STD_H */

lib/algorithms/approx/Remez.h

@@ -16,7 +16,7 @@
 #define INCLUDED_ALG_REMEZ_H
 
 #include <stddef.h>
-#include <Config.h>
+#include <Grid/GridStd.h>
 
 #ifdef HAVE_LIBGMP
 #include "bigfloat.h"

lib/qcd/action/fermion/CayleyFermion5D.cc

@@ -320,7 +320,7 @@ void CayleyFermion5D<Impl>::MDeriv  (GaugeField &mat,const FermionField &U,const
     this->DhopDeriv(mat,U,Din,dag);
   } else {
     //      U d/du [D_w D5]^dag V = U D5^dag d/du DW^dag Y // implicit adj on U in call
-    MeooeDag5D(U,Din);
+    Meooe5D(U,Din);
     this->DhopDeriv(mat,Din,V,dag);
   }
 };
@@ -335,8 +335,8 @@ void CayleyFermion5D<Impl>::MoeDeriv(GaugeField &mat,const FermionField &U,const
     this->DhopDerivOE(mat,U,Din,dag);
   } else {
     //      U d/du [D_w D5]^dag V = U D5^dag d/du DW^dag Y // implicit adj on U in call
-      MeooeDag5D(U,Din);
-      this->DhopDerivOE(mat,Din,V,dag);
+    Meooe5D(U,Din);
+    this->DhopDerivOE(mat,Din,V,dag);
   }
 };
 template<class Impl>
@@ -350,7 +350,7 @@ void CayleyFermion5D<Impl>::MeoDeriv(GaugeField &mat,const FermionField &U,const
     this->DhopDerivEO(mat,U,Din,dag);
   } else {
     //      U d/du [D_w D5]^dag V = U D5^dag d/du DW^dag Y // implicit adj on U in call
-    MeooeDag5D(U,Din);
+    Meooe5D(U,Din);
     this->DhopDerivEO(mat,Din,V,dag);
   }
 };
@@ -380,6 +380,8 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
   ///////////////////////////////////////////////////////////
   // The Cayley coeffs (unprec)
   ///////////////////////////////////////////////////////////
+  assert(gamma.size()==Ls);
+
   omega.resize(Ls);
   bs.resize(Ls);
   cs.resize(Ls);
@@ -412,10 +414,11 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
   for(int i=0; i < Ls; i++){
     as[i] = 1.0;
     omega[i] = gamma[i]*zolo_hi; //NB reciprocal relative to Chroma NEF code
+    //    assert(fabs(omega[i])>0.0);
     bs[i] = 0.5*(bpc/omega[i] + bmc);
     cs[i] = 0.5*(bpc/omega[i] - bmc);
   }
-  
+
   ////////////////////////////////////////////////////////
   // Constants for the preconditioned matrix Cayley form
   ////////////////////////////////////////////////////////
@@ -425,12 +428,12 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
   ceo.resize(Ls);
   
   for(int i=0;i<Ls;i++){
-    bee[i]=as[i]*(bs[i]*(4.0-this->M5) +1.0);
+    bee[i]=as[i]*(bs[i]*(4.0-this->M5) +1.0);     
+    //    assert(fabs(bee[i])>0.0);
     cee[i]=as[i]*(1.0-cs[i]*(4.0-this->M5));
     beo[i]=as[i]*bs[i];
     ceo[i]=-as[i]*cs[i];
   }
-  
   aee.resize(Ls);
   aeo.resize(Ls);
   for(int i=0;i<Ls;i++){
@@ -474,14 +477,16 @@ void CayleyFermion5D<Impl>::SetCoefficientsInternal(RealD zolo_hi,std::vector<Co
 	
   { 
     Coeff_t delta_d=mass*cee[Ls-1];
-    for(int j=0;j<Ls-1;j++) delta_d *= cee[j]/bee[j];
+    for(int j=0;j<Ls-1;j++) {
+      //      assert(fabs(bee[j])>0.0);
+      delta_d *= cee[j]/bee[j];
+    }
     dee[Ls-1] += delta_d;
   }  
 
   int inv=1;
   this->MooeeInternalCompute(0,inv,MatpInv,MatmInv);
   this->MooeeInternalCompute(1,inv,MatpInvDag,MatmInvDag);
-
 }
 
 
@@ -495,7 +500,9 @@ void CayleyFermion5D<Impl>::MooeeInternalCompute(int dag, int inv,
   GridBase *grid = this->FermionRedBlackGrid();
   int LLs = grid->_rdimensions[0];
 
-  if ( LLs == Ls ) return; // Not vectorised in 5th direction
+  if ( LLs == Ls ) {
+    return; // Not vectorised in 5th direction
+  }
 
   Eigen::MatrixXcd Pplus  = Eigen::MatrixXcd::Zero(Ls,Ls);
   Eigen::MatrixXcd Pminus = Eigen::MatrixXcd::Zero(Ls,Ls);

lib/qcd/action/fermion/DomainWallFermion.h

@@ -68,7 +68,7 @@ namespace Grid {
 	Approx::zolotarev_data *zdata = Approx::higham(eps,this->Ls);// eps is ignored for higham
 	assert(zdata->n==this->Ls);
 	
-	//	std::cout<<GridLogMessage << "DomainWallFermion with Ls="<<this->Ls<<std::endl;
+	std::cout<<GridLogMessage << "DomainWallFermion with Ls="<<this->Ls<<std::endl;
 	// Call base setter
 	this->SetCoefficientsTanh(zdata,1.0,0.0);
 

lib/serialisation/BaseIO.h

@@ -138,6 +138,54 @@ namespace Grid {
     unsigned int               dimInd_{0};
   };
   
+  // Pair IO utilities /////////////////////////////////////////////////////////
+  // helper function to parse input in the format "<obj1 obj2>"
+  template <typename T1, typename T2>
+  inline std::istream & operator>>(std::istream &is, std::pair<T1, T2> &buf)
+  {
+    T1 buf1;
+    T2 buf2;
+    char c;
+
+    // Search for "pair" delimiters.
+    do
+    {
+      is.get(c);
+    } while (c != '<' && !is.eof());
+    if (c == '<')
+    {
+      int start = is.tellg();
+      do
+      {
+        is.get(c);
+      } while (c != '>' && !is.eof());
+      if (c == '>')
+      {
+        int end = is.tellg();
+        int psize = end - start - 1;
+
+        // Only read data between pair limiters.
+        is.seekg(start);
+        std::string tmpstr(psize, ' ');
+        is.read(&tmpstr[0], psize);
+        std::istringstream temp(tmpstr);
+        temp >> buf1 >> buf2;
+        buf = std::make_pair(buf1, buf2);
+        is.seekg(end);
+      }
+    }
+    is.peek();
+    return is;
+  }
+  
+  // output to streams for pairs
+  template <class T1, class T2>
+  inline std::ostream & operator<<(std::ostream &os, const std::pair<T1, T2> &p)
+  {
+    os << "<" << p.first << " " << p.second << ">";
+    return os;
+  }
+
   // Abstract writer/reader classes ////////////////////////////////////////////
   // static polymorphism implemented using CRTP idiom
   class Serializable;