Profiling temporary code until optimised

Grid/qcd/action/ActionBase.h

@@ -44,7 +44,7 @@ public:
   ConfigurationBase() {}
   virtual ~ConfigurationBase() {}
   virtual void set_Field(Field& U) =0;
-  virtual void smeared_force(Field&) const = 0;
+  virtual void smeared_force(Field&) = 0;
   virtual Field& get_SmearedU() =0;
   virtual Field &get_U(bool smeared = false) = 0;
 };

Grid/qcd/hmc/HMC.h

@@ -283,12 +283,13 @@ public:
       std::cout << GridLogHMC << "Total time for trajectory (s): " << (t1-t0)/1e6 << std::endl;
 
       TheIntegrator.print_timer();
-
+      
+      TheIntegrator.Smearer.set_Field(Ucur);
       for (int obs = 0; obs < Observables.size(); obs++) {
       	std::cout << GridLogDebug << "Observables # " << obs << std::endl;
       	std::cout << GridLogDebug << "Observables total " << Observables.size() << std::endl;
       	std::cout << GridLogDebug << "Observables pointer " << Observables[obs] << std::endl;
-        Observables[obs]->TrajectoryComplete(traj + 1, Ucur, sRNG, pRNG);
+        Observables[obs]->TrajectoryComplete(traj + 1, TheIntegrator.Smearer, sRNG, pRNG);
       }
       std::cout << GridLogHMC << ":::::::::::::::::::::::::::::::::::::::::::" << std::endl;
     }

Grid/qcd/hmc/checkpointers/BaseCheckpointer.h

@@ -35,13 +35,16 @@ class CheckpointerParameters : Serializable {
 public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(CheckpointerParameters, 
 				  std::string, config_prefix, 
+				  std::string, smeared_prefix, 
 				  std::string, rng_prefix, 
 				  int, saveInterval, 
+				  bool, saveSmeared, 
 				  std::string, format, );
 
-  CheckpointerParameters(std::string cf = "cfg", std::string rn = "rng",
+  CheckpointerParameters(std::string cf = "cfg", std::string sf="cfg_smr" , std::string rn = "rng",
 			 int savemodulo = 1, const std::string &f = "IEEE64BIG")
     : config_prefix(cf),
+      smeared_prefix(sf),
       rng_prefix(rn),
       saveInterval(savemodulo),
       format(f){};
@@ -61,13 +64,21 @@ template <class Impl>
 class BaseHmcCheckpointer : public HmcObservable<typename Impl::Field> {
 public:
   void build_filenames(int traj, CheckpointerParameters &Params,
-                       std::string &conf_file, std::string &rng_file) {
+                       std::string &conf_file,
+                       std::string &smear_file,
+		       std::string &rng_file) {
     {
       std::ostringstream os;
       os << Params.rng_prefix << "." << traj;
       rng_file = os.str();
     }
 
+    {
+      std::ostringstream os;
+      os << Params.smeared_prefix << "." << traj;
+      smear_file = os.str();
+    }
+
     {
       std::ostringstream os;
       os << Params.config_prefix << "." << traj;
@@ -84,6 +95,11 @@ public:
   }
   virtual void initialize(const CheckpointerParameters &Params) = 0;
 
+  virtual void TrajectoryComplete(int traj,
+                                  typename Impl::Field &U,
+                                  GridSerialRNG &sRNG,
+                                  GridParallelRNG &pRNG) { assert(0); } ; // HMC should pass the smart config with smeared and unsmeared
+  
   virtual void CheckpointRestore(int traj, typename Impl::Field &U,
                                  GridSerialRNG &sRNG,
                                  GridParallelRNG &pRNG) = 0;

Grid/qcd/hmc/checkpointers/BinaryCheckpointer.h

@@ -61,11 +61,14 @@ public:
     fout.close();
   }
 
-  void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG) {
+  void TrajectoryComplete(int traj,
+			  ConfigurationBase<Field> &SmartConfig,
+			  GridSerialRNG &sRNG, GridParallelRNG &pRNG)
+  {
 
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng;
-      this->build_filenames(traj, Params, config, rng);
+      std::string config, rng, smr;
+      this->build_filenames(traj, Params, config, smr, rng);
 
       uint32_t nersc_csum;
       uint32_t scidac_csuma;
@@ -74,9 +77,15 @@ public:
       BinarySimpleUnmunger<sobj_double, sobj> munge;
       truncate(rng);
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
-      truncate(config);
+      std::cout << GridLogMessage << "Written Binary RNG " << rng
+                << " checksum " << std::hex 
+		<< nersc_csum   <<"/"
+		<< scidac_csuma   <<"/"
+		<< scidac_csumb 
+		<< std::dec << std::endl;
 
-      BinaryIO::writeLatticeObject<vobj, sobj_double>(U, config, munge, 0, Params.format,
+      truncate(config);
+      BinaryIO::writeLatticeObject<vobj, sobj_double>(SmartConfig.get_U(false), config, munge, 0, Params.format,
 						      nersc_csum,scidac_csuma,scidac_csumb);
 
       std::cout << GridLogMessage << "Written Binary Configuration " << config
@@ -85,6 +94,18 @@ public:
 		<< scidac_csuma   <<"/"
 		<< scidac_csumb 
 		<< std::dec << std::endl;
+
+      if ( Params.saveSmeared ) {
+	truncate(smr);
+	BinaryIO::writeLatticeObject<vobj, sobj_double>(SmartConfig.get_U(true), smr, munge, 0, Params.format,
+							nersc_csum,scidac_csuma,scidac_csumb);
+	std::cout << GridLogMessage << "Written Binary Smeared Configuration " << smr
+                << " checksum " << std::hex 
+		<< nersc_csum   <<"/"
+		<< scidac_csuma   <<"/"
+		<< scidac_csumb 
+		<< std::dec << std::endl;
+      }
     }
 
   };

Grid/qcd/hmc/checkpointers/ILDGCheckpointer.h

@@ -69,17 +69,27 @@ public:
     }
   }
 
-  void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
+  void TrajectoryComplete(int traj,
+			  ConfigurationBase<GaugeField> &SmartConfig,
+			  GridSerialRNG &sRNG,
                           GridParallelRNG &pRNG) {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng;
+      std::string config, rng, smr;
       this->build_filenames(traj, Params, config, rng);
-      GridBase *grid = U.Grid();
+      GridBase *grid = SmartConfig.get_U(false).Grid();
       uint32_t nersc_csum,scidac_csuma,scidac_csumb;
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
+      std::cout << GridLogMessage << "Written BINARY RNG " << rng
+                << " checksum " << std::hex 
+		<< nersc_csum<<"/"
+		<< scidac_csuma<<"/"
+		<< scidac_csumb
+		<< std::dec << std::endl;
+
+      
       IldgWriter _IldgWriter(grid->IsBoss());
       _IldgWriter.open(config);
-      _IldgWriter.writeConfiguration<GaugeStats>(U, traj, config, config);
+      _IldgWriter.writeConfiguration<GaugeStats>(SmartConfig.get_U(false), traj, config, config);
       _IldgWriter.close();
 
       std::cout << GridLogMessage << "Written ILDG Configuration on " << config
@@ -88,6 +98,21 @@ public:
 		<< scidac_csuma<<"/"
 		<< scidac_csumb
 		<< std::dec << std::endl;
+
+      if ( Params.saveSmeared ) { 
+	IldgWriter _IldgWriter(grid->IsBoss());
+	_IldgWriter.open(smr);
+	_IldgWriter.writeConfiguration<GaugeStats>(SmartConfig.get_U(true), traj, config, config);
+	_IldgWriter.close();
+
+	std::cout << GridLogMessage << "Written ILDG Configuration on " << smr
+                << " checksum " << std::hex 
+		<< nersc_csum<<"/"
+		<< scidac_csuma<<"/"
+		<< scidac_csumb
+		<< std::dec << std::endl;
+      }
+
     }
   };
 

Grid/qcd/hmc/checkpointers/NerscCheckpointer.h

@@ -52,23 +52,29 @@ public:
     Params.format = "IEEE64BIG";  // fixed, overwrite any other choice
   }
 
-  void TrajectoryComplete(int traj, GaugeField &U, GridSerialRNG &sRNG,
-                          GridParallelRNG &pRNG) {
+  virtual void TrajectoryComplete(int traj,
+                                  ConfigurationBase<GaugeField> &SmartConfig,
+                                  GridSerialRNG &sRNG,
+                                  GridParallelRNG &pRNG)
+  {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng;
-      this->build_filenames(traj, Params, config, rng);
-
+      std::string config, rng, smr;
+      this->build_filenames(traj, Params, config, smr, rng);
+      
       int precision32 = 1;
       int tworow = 0;
       NerscIO::writeRNGState(sRNG, pRNG, rng);
-      NerscIO::writeConfiguration<GaugeStats>(U, config, tworow, precision32);
+      NerscIO::writeConfiguration<GaugeStats>(SmartConfig.get_U(false), config, tworow, precision32);
+      if ( Params.saveSmeared ) {
+	NerscIO::writeConfiguration<GaugeStats>(SmartConfig.get_U(true), smr, tworow, precision32);
+      }
     }
   };
 
   void CheckpointRestore(int traj, GaugeField &U, GridSerialRNG &sRNG,
                          GridParallelRNG &pRNG) {
-    std::string config, rng;
-    this->build_filenames(traj, Params, config, rng);
+    std::string config, rng, smr;
+    this->build_filenames(traj, Params, config, smr, rng );
     this->check_filename(rng);
     this->check_filename(config);
 

Grid/qcd/hmc/checkpointers/ScidacCheckpointer.h

@@ -70,19 +70,37 @@ class ScidacHmcCheckpointer : public BaseHmcCheckpointer<Implementation> {
     }
   }
 
-  void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG,
+  void TrajectoryComplete(int traj, 
+			  ConfigurationBase<Field> &SmartConfig,
+			  GridSerialRNG &sRNG,
                           GridParallelRNG &pRNG) {
     if ((traj % Params.saveInterval) == 0) {
-      std::string config, rng;
-      this->build_filenames(traj, Params, config, rng);
-      GridBase *grid = U.Grid();
+      std::string config, rng,smr;
+      this->build_filenames(traj, Params, config, smr, rng);
+      GridBase *grid = SmartConfig.get_U(false).Grid();
       uint32_t nersc_csum,scidac_csuma,scidac_csumb;
       BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
-      ScidacWriter _ScidacWriter(grid->IsBoss());
-      _ScidacWriter.open(config);
-      _ScidacWriter.writeScidacFieldRecord(U, MData);
-      _ScidacWriter.close();
+      std::cout << GridLogMessage << "Written Binary RNG " << rng
+                << " checksum " << std::hex 
+		<< nersc_csum   <<"/"
+		<< scidac_csuma   <<"/"
+		<< scidac_csumb 
+		<< std::dec << std::endl;
 
+
+      {
+	ScidacWriter _ScidacWriter(grid->IsBoss());
+	_ScidacWriter.open(config);
+	_ScidacWriter.writeScidacFieldRecord(SmartConfig.get_U(false), MData);
+	_ScidacWriter.close();
+      }
+      
+      if ( Params.saveSmeared ) {
+	ScidacWriter _ScidacWriter(grid->IsBoss());
+	_ScidacWriter.open(smr);
+	_ScidacWriter.writeScidacFieldRecord(SmartConfig.get_U(true), MData);
+	_ScidacWriter.close();
+      }
       std::cout << GridLogMessage << "Written Scidac Configuration on " << config << std::endl;
     }
   };

Grid/qcd/hmc/integrators/Integrator.h

@@ -66,6 +66,7 @@ public:
 template <class FieldImplementation_, class SmearingPolicy, class RepresentationPolicy>
 class Integrator {
 protected:
+public:
   typedef FieldImplementation_ FieldImplementation;
   typedef typename FieldImplementation::Field MomentaField;  //for readability
   typedef typename FieldImplementation::Field Field;
@@ -96,7 +97,6 @@ protected:
   {
     t_P[level] += ep;
     update_P(P, U, level, ep);
-
     std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
   }
 
@@ -130,28 +130,20 @@ protected:
       Field force(U.Grid());
       conformable(U.Grid(), Mom.Grid());
 
-      Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
       double start_force = usecond();
 
-      std::cout << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] before"<<std::endl;
-      
       as[level].actions.at(a)->deriv_timer_start();
-      as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+      as[level].actions.at(a)->deriv(Smearer, force);  // deriv should NOT include Ta
       as[level].actions.at(a)->deriv_timer_stop();
 
-      std::cout << GridLogMessage << "AuditForce["<<level<<"]["<<a<<"] after"<<std::endl;
-
-      std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
       auto name = as[level].actions.at(a)->action_name();
-      if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
 
       force = FieldImplementation::projectForce(force); // Ta for gauge fields
       double end_force = usecond();
-
-      //      DumpSliceNorm("force ",force,Nd-1);
+      
       MomFilter->applyFilter(force);
+
       std::cout << GridLogIntegrator << " update_P : Level [" << level <<"]["<<a <<"] "<<name<<" dt "<<ep<<  std::endl;
-      DumpSliceNorm("force filtered ",force,Nd-1);
       
       Real force_abs   = std::sqrt(norm2(force)/U.Grid()->gSites()); //average per-site norm.  nb. norm2(latt) = \sum_x norm2(latt[x]) 
       Real impulse_abs = force_abs * ep * HMC_MOMENTUM_DENOMINATOR;    
@@ -377,14 +369,9 @@ public:
 	auto name = as[level].actions.at(actionID)->action_name();
         std::cout << GridLogMessage << "refresh [" << level << "][" << actionID << "] "<<name << std::endl;
 
-        Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
-
-	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] before"<<std::endl;
-
 	as[level].actions.at(actionID)->refresh_timer_start();
-        as[level].actions.at(actionID)->refresh(Us, sRNG, pRNG);
+        as[level].actions.at(actionID)->refresh(Smearer, sRNG, pRNG);
 	as[level].actions.at(actionID)->refresh_timer_stop();
-	std::cout << GridLogMessage << "AuditRefresh["<<level<<"]["<<actionID<<"] after"<<std::endl;
 
       }
 
@@ -425,10 +412,9 @@ public:
 
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
-        Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
 	        as[level].actions.at(actionID)->S_timer_start();
-        Hterm = as[level].actions.at(actionID)->S(Us);
+        Hterm = as[level].actions.at(actionID)->S(Smearer);
    	        as[level].actions.at(actionID)->S_timer_stop();
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;
@@ -469,12 +455,11 @@ public:
       for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
         // get gauge field from the SmearingPolicy and
         // based on the boolean is_smeared in actionID
-        Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
-	        as[level].actions.at(actionID)->S_timer_start();
 
-        Hterm = as[level].actions.at(actionID)->Sinitial(Us);
-   	        as[level].actions.at(actionID)->S_timer_stop();
+	as[level].actions.at(actionID)->S_timer_start();
+        Hterm = as[level].actions.at(actionID)->S(Smearer);
+	as[level].actions.at(actionID)->S_timer_stop();
 
         std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
         H += Hterm;

Grid/qcd/observables/hmc_observable.h

@@ -34,6 +34,13 @@ NAMESPACE_BEGIN(Grid);
 template <class Field>
 class HmcObservable {
  public:
+  virtual void TrajectoryComplete(int traj,
+                                  ConfigurationBase<Field> &SmartConfig,
+                                  GridSerialRNG &sRNG,
+                                  GridParallelRNG &pRNG)
+  {
+    TrajectoryComplete(traj,SmartConfig.get_U(false),sRNG,pRNG); // Unsmeared observable
+  };
   virtual void TrajectoryComplete(int traj,
                                   Field &U,
                                   GridSerialRNG &sRNG,

Grid/qcd/observables/plaquette.h

@@ -42,6 +42,18 @@ public:
   // necessary for HmcObservable compatibility
   typedef typename Impl::Field Field;
 
+  virtual void TrajectoryComplete(int traj,
+                                  ConfigurationBase<Field> &SmartConfig,
+                                  GridSerialRNG &sRNG,
+                                  GridParallelRNG &pRNG)
+  {
+    std::cout << GridLogMessage << "+++++++++++++++++++"<<std::endl;
+    std::cout << GridLogMessage << "Unsmeared plaquette"<<std::endl;
+    TrajectoryComplete(traj,SmartConfig.get_U(false),sRNG,pRNG); // Unsmeared observable
+    std::cout << GridLogMessage << "Smeared plaquette"<<std::endl;
+    TrajectoryComplete(traj,SmartConfig.get_U(true),sRNG,pRNG); // Unsmeared observable
+    std::cout << GridLogMessage << "+++++++++++++++++++"<<std::endl;
+  };
   void TrajectoryComplete(int traj,
                           Field &U,
                           GridSerialRNG &sRNG,

Grid/qcd/smearing/GaugeConfiguration.h

@@ -19,13 +19,13 @@ public:
 
   NoSmearing(): ThinLinks(NULL) {}
 
-  void set_Field(Field& U) { ThinLinks = &U; }
+  virtual void set_Field(Field& U) { ThinLinks = &U; }
 
-  void smeared_force(Field&) const {}
+  virtual void smeared_force(Field&) {}
 
-  Field& get_SmearedU() { return *ThinLinks; }
+  virtual Field& get_SmearedU() { return *ThinLinks; }
 
-  Field &get_U(bool smeared = false)
+  virtual Field &get_U(bool smeared = false)
   {
     return *ThinLinks;
   }
@@ -235,7 +235,7 @@ public:
     : smearingLevels(0), StoutSmearing(nullptr), SmearedSet(), ThinLinks(NULL) {}
 
   // attach the smeared routines to the thin links U and fill the smeared set
-  void set_Field(GaugeField &U)
+  virtual void set_Field(GaugeField &U)
   {
     double start = usecond();
     fill_smearedSet(U);
@@ -245,7 +245,7 @@ public:
   }
 
   //====================================================================
-  void smeared_force(GaugeField &SigmaTilde) const
+  virtual void smeared_force(GaugeField &SigmaTilde) 
   {
     if (smearingLevels > 0)
     {
@@ -272,14 +272,16 @@ public:
       }
       double end = usecond();
       double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << "Smearing force in " << time << " ms" << std::endl;  
+      std::cout << GridLogMessage << " GaugeConfiguration: Smeared Force chain rule took " << time << " ms" << std::endl;
     }  // if smearingLevels = 0 do nothing
+    SigmaTilde=Gimpl::projectForce(SigmaTilde); // Ta
+      
   }
   //====================================================================
 
-  GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
+  virtual GaugeField& get_SmearedU() { return SmearedSet[smearingLevels - 1]; }
 
-  GaugeField &get_U(bool smeared = false)
+  virtual GaugeField &get_U(bool smeared = false)
   {
     // get the config, thin links by default
     if (smeared)

Grid/qcd/smearing/GaugeConfigurationMasked.h

@@ -131,6 +131,7 @@ public:
     AdjMatrixField  X(grid);
     Complex ci(0,1);
 
+    RealD t0 = usecond();
     Ident = ComplexD(1.0);
     for(int d=0;d<Nd;d++){
       Umu[d] = peekLorentz(U, d);
@@ -161,6 +162,8 @@ public:
     // Assemble the N matrix
     //////////////////////////////////////////////////////////////////
     // Computes ALL the staples -- could compute one only and do it here
+    RealD time;
+    time=-usecond();
     this->StoutSmearing->BaseSmear(C, U);
     Cmu = peekLorentz(C, mu);
 
@@ -169,7 +172,10 @@ public:
     //////////////////////////////////////////////////////////////////
     // Ta so Z lives in Lie algabra
     Zx  = Ta(Cmu * adj(Umu[mu]));
+    time+=usecond();
+    std::cout << GridLogMessage << "Z took "<<time<< " us"<<std::endl;
 
+    time=-usecond();
     // Move Z to the Adjoint Rep == make_adjoint_representation
     ZxAd = Zero();
     for(int b=0;b<8;b++) {
@@ -180,10 +186,13 @@ public:
       cplx = 2.0*trace(ci*tb*Zx); // my convention 1/2 delta ba
       ZxAd = ZxAd + cplx * TRb; // is this right? YES - Guido used Anti herm Ta's and with bloody wrong sign.
     }
+    time+=usecond();
+    std::cout << GridLogMessage << "ZxAd took "<<time<< " us"<<std::endl;
 
     //////////////////////////////////////
     // J(x) = 1 + Sum_k=1..N (-Zac)^k/(k+1)!
     //////////////////////////////////////
+    time=-usecond();
     X=1.0; 
     JxAd = X;
     mZxAd = (-1.0)*ZxAd; 
@@ -193,10 +202,13 @@ public:
       kpfac = kpfac /(k+1);
       JxAd = JxAd + X * kpfac;
     }
+    time+=usecond();
+    std::cout << GridLogMessage << "Jx took "<<time<< " us"<<std::endl;
 
     //////////////////////////////////////
     // dJ(x)/dxe
     //////////////////////////////////////
+    time=-usecond();
     std::vector<AdjMatrixField>  dJdX;    dJdX.resize(8,grid);
     AdjMatrixField tbXn(grid);
     AdjMatrixField sumXtbX(grid);
@@ -220,12 +232,17 @@ public:
       }
       dJdX[b] = -dt2; 
     }
+    time+=usecond();
+    std::cout << GridLogMessage << "dJx took "<<time<< " us"<<std::endl;
     /////////////////////////////////////////////////////////////////
     // Mask Umu for this link
     /////////////////////////////////////////////////////////////////
+    time=-usecond();
     PlaqL = Ident;
     PlaqR = Utmp*adj(Cmu);
     ComputeNxy(PlaqL,PlaqR,NxxAd);
+    time+=usecond();
+    std::cout << GridLogMessage << "ComputeNxy took "<<time<< " us"<<std::endl;
     
     ////////////////////////////
     // Mab
@@ -236,8 +253,12 @@ public:
     /////////////////////////
     // invert the 8x8
     /////////////////////////
+    time=-usecond();
     MpAdInv = Inverse(MpAd);
+    time+=usecond();
+    std::cout << GridLogMessage << "MpAdInv took "<<time<< " us"<<std::endl;
     
+    RealD t3a = usecond();
     /////////////////////////////////////////////////////////////////
     // Nxx Mp^-1
     /////////////////////////////////////////////////////////////////
@@ -283,6 +304,7 @@ public:
     GaugeField Fdet2(grid);
     GaugeLinkField Fdet_pol(grid); // one polarisation
 
+    RealD t4 = usecond();
     for(int nu=0;nu<Nd;nu++){
 
       if (nu!=mu) {
@@ -291,20 +313,29 @@ public:
 	//    |  |
 	//    x==    // nu polarisation -- clockwise
 
+	time=-usecond();
 	PlaqL=Ident;
 
 	PlaqR=(-rho)*Gimpl::CovShiftForward(Umu[nu], nu,
  	       Gimpl::CovShiftForward(Umu[mu], mu,
 	         Gimpl::CovShiftBackward(Umu[nu], nu,
 		   Gimpl::CovShiftIdentityBackward(Utmp, mu))));
+	time+=usecond();
+	std::cout << GridLogMessage << "PlaqLR took "<<time<< " us"<<std::endl;
 
+	time=-usecond();
 	dJdXe_nMpInv_y =   dJdXe_nMpInv;
 	ComputeNxy(PlaqL,PlaqR,Nxy);
 	Fdet1_nu = transpose(Nxy)*dJdXe_nMpInv_y;
+	time+=usecond();
+	std::cout << GridLogMessage << "ComputeNxy (occurs 6x) took "<<time<< " us"<<std::endl;
 
+	time=-usecond();
 	PlaqR=(-1.0)*PlaqR;
 	Compute_MpInvJx_dNxxdSy(PlaqL,PlaqR,MpInvJx,FdetV);
 	Fdet2_nu = FdetV;
+	time+=usecond();
+	std::cout << GridLogMessage << "Compute_MpInvJx_dNxxSy (occurs 6x) took "<<time<< " us"<<std::endl;
 	
 	//    x==
 	//    |  |
@@ -416,6 +447,7 @@ public:
 	
       }
     }
+    RealD t5 = usecond();
 
     Fdet1_mu = Fdet1_mu + transpose(NxxAd)*dJdXe_nMpInv;
 
@@ -423,6 +455,13 @@ public:
     InsertForce(Fdet2,Fdet2_mu,mu);
 
     force= (-0.5)*( Fdet1 + Fdet2);
+    RealD t1 = usecond();
+    std::cout << GridLogMessage << " logDetJacobianForce level took "<<t1-t0<<" us "<<std::endl;
+    std::cout << GridLogMessage << " logDetJacobianForce t3-t0 "<<t3a-t0<<" us "<<std::endl;
+    std::cout << GridLogMessage << " logDetJacobianForce t4-t3 dJdXe_nMpInv "<<t4-t3a<<" us "<<std::endl;
+    std::cout << GridLogMessage << " logDetJacobianForce t5-t4 mu nu loop "<<t5-t4<<" us "<<std::endl;
+    std::cout << GridLogMessage << " logDetJacobianForce t1-t5 "<<t1-t5<<" us "<<std::endl;
+    std::cout << GridLogMessage << " logDetJacobianForce level took "<<t1-t0<<" us "<<std::endl;
   }
   RealD logDetJacobianLevel(const GaugeField &U,int smr)
   {
@@ -696,10 +735,10 @@ private:
 public:
 
   /* Standard constructor */
-  SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout,bool domask=false)
+  SmearedConfigurationMasked(GridCartesian* _UGrid, unsigned int Nsmear, Smear_Stout<Gimpl>& Stout)
     : SmearedConfiguration<Gimpl>(_UGrid, Nsmear,Stout)
   {
-    if(domask) assert(Nsmear%(2*Nd)==0); // Or multiply by 8??
+    assert(Nsmear%(2*Nd)==0); // Or multiply by 8??
 
     // was resized in base class
     assert(this->SmearedSet.size()==Nsmear);
@@ -712,26 +751,20 @@ public:
     for (unsigned int i = 0; i < this->smearingLevels; ++i) {
 
       masks.push_back(*(new LatticeLorentzComplex(_UGrid)));
-      if (domask) {
 
-	int mu= (i/2) %Nd;
-	int cb= (i%2);
-	LatticeComplex tmpcb(UrbGrid);
+      int mu= (i/2) %Nd;
+      int cb= (i%2);
+      LatticeComplex tmpcb(UrbGrid);
 	
-	masks[i]=Zero();
-	////////////////////
-	// Setup the mask
-	////////////////////
-	tmp = Zero();
-	pickCheckerboard(cb,tmpcb,one);
-	setCheckerboard(tmp,tmpcb);
-	PokeIndex<LorentzIndex>(masks[i],tmp, mu);
+      masks[i]=Zero();
+      ////////////////////
+      // Setup the mask
+      ////////////////////
+      tmp = Zero();
+      pickCheckerboard(cb,tmpcb,one);
+      setCheckerboard(tmp,tmpcb);
+      PokeIndex<LorentzIndex>(masks[i],tmp, mu);
 	
-      } else {
-	for(int mu=0;mu<Nd;mu++){
-	  PokeIndex<LorentzIndex>(masks[i],one, mu);
-	}
-      }
     }
     delete UrbGrid;
   }
@@ -764,10 +797,14 @@ public:
         tmp_mu = peekLorentz(*this->ThinLinks, mu) * peekLorentz(force, mu);
         pokeLorentz(SigmaTilde, tmp_mu, mu);
       }
+
+
       double end = usecond();
       double time = (end - start)/ 1e3;
-      std::cout << GridLogMessage << " GaugeConfigurationMasked: Smeared Force chain rule took " << time << " ms" << std::endl;  
+      std::cout << GridLogMessage << " GaugeConfigurationMasked: Smeared Force chain rule took " << time << " ms" << std::endl;
+
     }  // if smearingLevels = 0 do nothing
+    SigmaTilde=Gimpl::projectForce(SigmaTilde); // Ta
   }
 
 };

Grid/qcd/smearing/JacobianAction.h

@@ -2,15 +2,11 @@
 
 Grid physics library, www.github.com/paboyle/Grid
 
-Source file: ./lib/qcd/action/gauge/WilsonGaugeAction.h
+Source file: ./lib/qcd/action/gauge/JacobianAction.h
 
 Copyright (C) 2015
 
-Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
-Author: neo <cossu@post.kek.jp>
-Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Guido Cossu <guido.cossu@ed.ac.uk>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by

Grid/qcd/utils/SUn.h

@@ -34,6 +34,59 @@ directory
 
 NAMESPACE_BEGIN(Grid);
 
+template<int N, class Vec>
+Lattice<iScalar<iScalar<iScalar<Vec> > > > Determinant(const Lattice<iScalar<iScalar<iMatrix<Vec, N> > > > &Umu)
+{
+  GridBase *grid=Umu.Grid();
+  auto lvol = grid->lSites();
+  Lattice<iScalar<iScalar<iScalar<Vec> > > > ret(grid);
+
+  autoView(Umu_v,Umu,CpuRead);
+  autoView(ret_v,ret,CpuWrite);
+  thread_for(site,lvol,{
+    Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
+    Coordinate lcoor;
+    grid->LocalIndexToLocalCoor(site, lcoor);
+    iScalar<iScalar<iMatrix<ComplexD, N> > > Us;
+    peekLocalSite(Us, Umu_v, lcoor);
+    for(int i=0;i<N;i++){
+      for(int j=0;j<N;j++){
+	EigenU(i,j) = Us()()(i,j);
+      }}
+    ComplexD detD  = EigenU.determinant();
+    typename Vec::scalar_type det(detD.real(),detD.imag());
+    pokeLocalSite(det,ret_v,lcoor);
+  });
+  return ret;
+}
+
+template<int N, class Vec>
+static void ProjectSUn(Lattice<iScalar<iScalar<iMatrix<Vec, N> > > > &Umu)
+{
+  Umu      = ProjectOnGroup(Umu);
+  auto det = Determinant(Umu);
+
+  det = conjugate(det);
+
+  for(int i=0;i<N;i++){
+    auto element = PeekIndex<ColourIndex>(Umu,N-1,i);
+    element = element * det;
+    PokeIndex<ColourIndex>(Umu,element,Nc-1,i);
+  }
+}
+template<int N,class Vec>
+static void ProjectSUn(Lattice<iVector<iScalar<iMatrix<Vec, N> >,Nd> > &U)
+{
+  GridBase *grid=U.Grid();
+  // Reunitarise
+  for(int mu=0;mu<Nd;mu++){
+    auto Umu = PeekIndex<LorentzIndex>(U,mu);
+    Umu      = ProjectOnGroup(Umu);
+    ProjectSUn(Umu);
+    PokeIndex<LorentzIndex>(U,Umu,mu);
+  }
+}
+
 template <int ncolour>
 class SU {
 public:
@@ -741,8 +794,14 @@ public:
     typedef Lattice<vMatrixType> LatticeMatrixType;
 
     LatticeMatrixType Umu(out.Grid());
+    LatticeMatrixType tmp(out.Grid());
     for (int mu = 0; mu < Nd; mu++) {
-      LieRandomize(pRNG, Umu, 1.0);
+      //      LieRandomize(pRNG, Umu, 1.0);
+      //      PokeIndex<LorentzIndex>(out, Umu, mu);
+      gaussian(pRNG,Umu);
+      tmp = Ta(Umu);
+      taExp(tmp,Umu);
+      ProjectSUn(Umu);
       PokeIndex<LorentzIndex>(out, Umu, mu);
     }
   }
@@ -798,30 +857,6 @@ public:
   }
 };
 
-template<int N>
-LatticeComplexD Determinant(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
-{
-  GridBase *grid=Umu.Grid();
-  auto lvol = grid->lSites();
-  LatticeComplexD ret(grid);
-
-  autoView(Umu_v,Umu,CpuRead);
-  autoView(ret_v,ret,CpuWrite);
-  thread_for(site,lvol,{
-    Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
-    Coordinate lcoor;
-    grid->LocalIndexToLocalCoor(site, lcoor);
-    iScalar<iScalar<iMatrix<ComplexD, N> > > Us;
-    peekLocalSite(Us, Umu_v, lcoor);
-    for(int i=0;i<N;i++){
-      for(int j=0;j<N;j++){
-	EigenU(i,j) = Us()()(i,j);
-      }}
-    ComplexD det = EigenU.determinant();
-    pokeLocalSite(det,ret_v,lcoor);
-  });
-  return ret;
-}
 template<int N>
 Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
 {
@@ -851,32 +886,6 @@ Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScala
   });
   return ret;
 }
-template<int N>
-static void ProjectSUn(Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > &Umu)
-{
-  Umu      = ProjectOnGroup(Umu);
-  auto det = Determinant(Umu);
-
-  det = conjugate(det);
-
-  for(int i=0;i<N;i++){
-    auto element = PeekIndex<ColourIndex>(Umu,N-1,i);
-    element = element * det;
-    PokeIndex<ColourIndex>(Umu,element,Nc-1,i);
-  }
-}
-template<int N>
-static void ProjectSUn(Lattice<iVector<iScalar<iMatrix<vComplexD, N> >,Nd> > &U)
-{
-  GridBase *grid=U.Grid();
-  // Reunitarise
-  for(int mu=0;mu<Nd;mu++){
-    auto Umu = PeekIndex<LorentzIndex>(U,mu);
-    Umu      = ProjectOnGroup(Umu);
-    ProjectSUn(Umu);
-    PokeIndex<LorentzIndex>(U,Umu,mu);
-  }
-}
 // Explicit specialisation for SU(3).
 // Explicit specialisation for SU(3).
 static void

systems/mac-arm/config-command-mpi

@@ -1,4 +1,4 @@
 BREW=/opt/local/
-MPICXX=mpicxx CXX=c++-12 ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstall --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW --disable-fermion-reps --disable-gparity 
+MPICXX=mpicxx CXX=c++-12 ../../configure --enable-simd=GEN --enable-comms=mpi-auto --enable-unified=yes --prefix $HOME/QCD/GridInstall --with-lime=/Users/peterboyle/QCD/SciDAC/install/ --with-openssl=$BREW --disable-fermion-reps --disable-gparity --disable-debug
 
 

tests/forces/Test_fthmc.cc

@@ -32,9 +32,12 @@ Author: Peter Boyle <pboyle@bnl.gov>
 using namespace std;
 using namespace Grid;
 
+typedef MobiusFermionD FermionAction;
+typedef WilsonImplD FimplD;
+typedef WilsonImplD FermionImplPolicy;
 
 template<class Gimpl>
-void ForceTest(Action<LatticeGaugeField> &action,SmearedConfigurationMasked<PeriodicGimplR> & smU,MomentumFilterBase<LatticeGaugeField> &Filter)
+void ForceTest(Action<LatticeGaugeField> &action,ConfigurationBase<LatticeGaugeField> & smU,MomentumFilterBase<LatticeGaugeField> &Filter)
 {
   LatticeGaugeField U = smU.get_U(false); // unsmeared config
   GridBase *UGrid = U.Grid();
@@ -51,14 +54,14 @@ void ForceTest(Action<LatticeGaugeField> &action,SmearedConfigurationMasked<Peri
   std::cout << GridLogMessage << " Force test for "<<action.action_name()<<std::endl;
   std::cout << GridLogMessage << "*********************************************************"<<std::endl;
   
-  RealD eps=0.005;
+  RealD eps=0.01;
 
   std::cout << GridLogMessage << "+++++++++++++++++++++++++++++++++++++++++++++++++++++++++"<<std::endl;
   std::cout << GridLogMessage << " Refresh "<<action.action_name()<<std::endl;
   std::cout << GridLogMessage << "+++++++++++++++++++++++++++++++++++++++++++++++++++++++++"<<std::endl;
   
   Gimpl::generate_momenta(P,sRNG,RNG4);
-  Filter.applyFilter(P);
+  //  Filter.applyFilter(P);
 
   action.refresh(smU,sRNG,RNG4);
 
@@ -76,7 +79,7 @@ void ForceTest(Action<LatticeGaugeField> &action,SmearedConfigurationMasked<Peri
   std::cout << GridLogMessage << "+++++++++++++++++++++++++++++++++++++++++++++++++++++++++"<<std::endl;
   action.deriv(smU,UdSdU);
   UdSdU = Ta(UdSdU);
-  Filter.applyFilter(UdSdU);
+  //  Filter.applyFilter(UdSdU);
 
   DumpSliceNorm("Force",UdSdU,Nd-1);
   
@@ -94,7 +97,7 @@ void ForceTest(Action<LatticeGaugeField> &action,SmearedConfigurationMasked<Peri
   for(int mu=0;mu<Nd;mu++){
     auto UdSdUmu = PeekIndex<LorentzIndex>(UdSdU,mu);
     Pmu= PeekIndex<LorentzIndex>(P,mu);
-    dS = dS - trace(Pmu*UdSdUmu)*eps*2.0*2.0;
+    dS = dS - trace(Pmu*UdSdUmu)*eps*2.0*HMC_MOMENTUM_DENOMINATOR;
   }
   ComplexD dSpred    = sum(dS);
   RealD diff =  S2-S1-dSpred.real();
@@ -125,8 +128,11 @@ int main (int argc, char ** argv)
   const int Ls=12;
   const int Nt = latt_size[3];
   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);
 
+  
   ///////////////////// Gauge Field and Gauge Forces ////////////////////////////
   LatticeGaugeField U(UGrid);
 
@@ -141,17 +147,40 @@ int main (int argc, char ** argv)
 #endif
 
   
-  RealD beta=6.0;
-  WilsonGaugeActionR  PlaqAction(beta);
-  IwasakiGaugeActionR RectAction(beta);
+  WilsonGaugeActionR  PlaqAction(6.0);
+  IwasakiGaugeActionR RectAction(2.13);
+  PlaqAction.is_smeared = true;  
+  RectAction.is_smeared = true;  
 
+  ////////////////////////////////////
+  // Fermion Action
+  ////////////////////////////////////
+  RealD mass=0.01; 
+  RealD pvmass=1.0; 
+  RealD M5=1.8; 
+  RealD b=1.5;
+  RealD c=0.5;
+  
+  // Double versions
+  std::vector<Complex> boundary = {1,1,1,-1};
+  FermionAction::ImplParams Params(boundary);
+  FermionAction DdwfPeriodic(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c,Params);
+  FermionAction PVPeriodic  (U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,pvmass,M5,b,c,Params);
 
+  double StoppingCondition = 1.0e-8;
+  double MaxCGIterations = 50000;
+  ConjugateGradient<LatticeFermion>  CG(StoppingCondition,MaxCGIterations);
+
+  TwoFlavourRatioPseudoFermionAction<FimplD> Nf2(PVPeriodic, DdwfPeriodic,CG,CG);
+  Nf2.is_smeared = true;  
+  
   ////////////////////////////////////////////////
   // Plaquette only FTHMC smearer
   ////////////////////////////////////////////////
   double rho = 0.1;
   Smear_Stout<PeriodicGimplR> Smearer(rho);
-  SmearedConfigurationMasked<PeriodicGimplR> SmartConfig(UGrid,2*Nd,Smearer,true);
+  SmearedConfigurationMasked<PeriodicGimplR> SmartConfig(UGrid,2*Nd,Smearer);
+  SmearedConfiguration<PeriodicGimplR> StoutConfig(UGrid,1,Smearer);
 
   JacobianAction<PeriodicGimplR> Jacobian(&SmartConfig);
   
@@ -159,12 +188,32 @@ int main (int argc, char ** argv)
   // Run some tests
   ////////////////////////////////////////////////
   MomentumFilterNone<LatticeGaugeField> FilterNone;
+
+  std::cout << " *********  FIELD TRANSFORM SMEARING ***** "<<std::endl;
+
   SmartConfig.set_Field(U);
   ForceTest<GimplTypesR>(PlaqAction,SmartConfig,FilterNone);
+
   SmartConfig.set_Field(U);
   ForceTest<GimplTypesR>(RectAction,SmartConfig,FilterNone);
+
   SmartConfig.set_Field(U);
   ForceTest<GimplTypesR>(Jacobian,SmartConfig,FilterNone);
 
+  SmartConfig.set_Field(U);
+  ForceTest<GimplTypesR>(Nf2,SmartConfig,FilterNone);
+
+  std::cout << " *********    STOUT SMEARING ***** "<<std::endl;
+
+  StoutConfig.set_Field(U);
+  ForceTest<GimplTypesR>(PlaqAction,StoutConfig,FilterNone);
+
+  StoutConfig.set_Field(U);
+  ForceTest<GimplTypesR>(RectAction,StoutConfig,FilterNone);
+  
+  StoutConfig.set_Field(U);
+  ForceTest<GimplTypesR>(Nf2,StoutConfig,FilterNone);
+  
+
   Grid_finalize();
 }