Covariant laplacian and implicit integration

lib/qcd/hmc/HMCModules.h

@@ -37,25 +37,19 @@ namespace Grid {
 namespace QCD {
 
 ////////////////////////////////////////////////////////////////////
-class RNGModuleParameters: Serializable {
-
+struct RNGModuleParameters: Serializable {
   GRID_SERIALIZABLE_CLASS_MEMBERS(RNGModuleParameters,
   std::string, serial_seeds,
   std::string, parallel_seeds,);
-public:
-  std::vector<int> SerialSeed;
-  std::vector<int> ParallelSeed;
 
-  RNGModuleParameters(const std::vector<int> S = std::vector<int>(),
-                      const std::vector<int> P = std::vector<int>())
-      : SerialSeed(S), ParallelSeed(P) {}
+  std::vector<int> getSerialSeeds(){return strToVec<int>(serial_seeds);}
+  std::vector<int> getParallelSeeds(){return strToVec<int>(parallel_seeds);}
 
+  RNGModuleParameters(): serial_seeds("1"), parallel_seeds("1"){}
 
   template <class ReaderClass >
   RNGModuleParameters(Reader<ReaderClass>& Reader){
     read(Reader, "RandomNumberGenerator", *this); 
-    SerialSeed = strToVec<int>(serial_seeds);
-    ParallelSeed = strToVec<int>(parallel_seeds);
   }
   
 };
@@ -82,12 +76,14 @@ public:
   GridParallelRNG& get_pRNG() { return *pRNG_.get(); }
 
   void seed() {
-    if (Params_.SerialSeed.size() == 0 && Params_.ParallelSeed.size() == 0) {
-      std::cout << "Seeds not initialized" << std::endl;
+    auto SerialSeeds   = Params_.getSerialSeeds();
+    auto ParallelSeeds = Params_.getParallelSeeds();
+    if (SerialSeeds.size() == 0 && ParallelSeeds.size() == 0) {
+      std::cout << GridLogError << "Seeds not initialized" << std::endl;
       exit(1);
     }
-    sRNG_.SeedFixedIntegers(Params_.SerialSeed);
-    pRNG_->SeedFixedIntegers(Params_.ParallelSeed);
+    sRNG_.SeedFixedIntegers(SerialSeeds);
+    pRNG_->SeedFixedIntegers(ParallelSeeds);
   }
 };
 

lib/qcd/hmc/HMCResourceManager.h

@@ -75,6 +75,8 @@ class HMCResourceManager {
   bool have_RNG;
   bool have_CheckPointer;
 
+  // NOTE: operator << is not overloaded for std::vector<string> 
+  // so thsi function is necessary
   void output_vector_string(const std::vector<std::string> &vs){
     for (auto &i: vs)
       std::cout << i << " ";
@@ -85,13 +87,13 @@ class HMCResourceManager {
  public:
   HMCResourceManager() : have_RNG(false), have_CheckPointer(false) {}
 
-  template <class ReaderClass >
+  template <class ReaderClass, class vector_type = vComplex >
   void initialize(ReaderClass &Read){
     // assumes we are starting from the main node
 
     // Geometry
     GridModuleParameters GridPar(Read);
-    GridFourDimModule GridMod( GridPar) ;
+    GridFourDimModule<vector_type> GridMod( GridPar) ;
     AddGrid("gauge", GridMod);
 
     // Checkpointer
@@ -100,9 +102,6 @@ class HMCResourceManager {
     std::string cp_type;
     read(Read,"name", cp_type);
     std::cout << "Registered types " << std::endl;
-    // NOTE: operator << is not overloaded for std::vector<string> 
-    // so it complains here
-    //std::cout << CPfactory.getBuilderList() << std::endl;
     output_vector_string(CPfactory.getBuilderList());
 
 
@@ -178,7 +177,7 @@ class HMCResourceManager {
 
   // Add a named grid set, 4d shortcut
   void AddFourDimGrid(std::string s) {
-    GridFourDimModule Mod;
+    GridFourDimModule<vComplex> Mod;
     AddGrid(s, Mod);
   }
 

lib/qcd/hmc/HMC_GridModules.h

@@ -31,41 +31,48 @@ directory
 #define HMC_GRID_MODULES
 
 namespace Grid {
-namespace QCD {
 
 // Resources
 // Modules for grids 
 
-class GridModuleParameters: Serializable{
-  
+// Introduce another namespace HMCModules?
+
+class GridModuleParameters: Serializable{   
+public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(GridModuleParameters,
   std::string, lattice,
-  std::string,  mpi);
+  std::string, mpi);
 
-public: 
-  // these namings are ugly
-  // also ugly the distinction between the serializable members
-  // and this
-  std::vector<int> lattice_v;
-  std::vector<int> mpi_v;
+  std::vector<int> getLattice(){return strToVec<int>(lattice);}
+  std::vector<int> getMpi()    {return strToVec<int>(mpi);}
 
-  GridModuleParameters(const std::vector<int> l_ = std::vector<int>(),
-    const std::vector<int> mpi_ = std::vector<int>()):lattice_v(l_), mpi_v(mpi_){}
-
-  template <class ReaderClass>
-  GridModuleParameters(Reader<ReaderClass>& Reader) {
-    read(Reader, "LatticeGrid", *this);
-    lattice_v = strToVec<int>(lattice);
-    mpi_v = strToVec<int>(mpi);
-    if (mpi_v.size() != lattice_v.size()) {
-      std::cout << "Error in GridModuleParameters: lattice and mpi dimensions "
+  void check(){
+    if (getLattice().size() != getMpi().size()) {
+      std::cout << GridLogError 
+                << "Error in GridModuleParameters: lattice and mpi dimensions "
                    "do not match"
                 << std::endl;
       exit(1);
     }
+  }    
+
+  template <class ReaderClass>
+  GridModuleParameters(Reader<ReaderClass>& Reader) {
+    read(Reader, name, *this);
+    check();
   }
+
+  // Save on file
+  template< class WriterClass>
+  void save(Writer<WriterClass>& Writer){
+    check();
+    write(Writer, name, *this);
+  }
+private:
+    std::string name = "LatticeGrid";
 };
 
+// Lower level class
 class GridModule {
  public:
   GridCartesian* get_full() { 
@@ -84,27 +91,33 @@ class GridModule {
   
 };
 
-// helpers
-// FIXME define a class accepting also real vtypes
+////////////////////////////////////
+// Classes for the user
+////////////////////////////////////
+// Note: the space time grid must be out of the QCD namespace
+template< class vector_type>
 class GridFourDimModule : public GridModule {
  public:
-  // add a function to create the module from a Reader
   GridFourDimModule() {
+    using namespace QCD;
     set_full(SpaceTimeGrid::makeFourDimGrid(
-        GridDefaultLatt(), GridDefaultSimd(4, vComplex::Nsimd()),
+        GridDefaultLatt(), GridDefaultSimd(4, vector_type::Nsimd()),
         GridDefaultMpi()));
     set_rb(SpaceTimeGrid::makeFourDimRedBlackGrid(grid_.get()));
   }
 
-  template <class vector_type = vComplex>
   GridFourDimModule(GridModuleParameters Params) {
-    if (Params.lattice_v.size() == 4) {
+    using namespace QCD;
+    Params.check();
+    std::vector<int> lattice_v = Params.getLattice();
+    std::vector<int> mpi_v = Params.getMpi();
+    if (lattice_v.size() == 4) {
       set_full(SpaceTimeGrid::makeFourDimGrid(
-          Params.lattice_v, GridDefaultSimd(4, vector_type::Nsimd()),
-          Params.mpi_v));
+          lattice_v, GridDefaultSimd(4, vector_type::Nsimd()),
+          mpi_v));
       set_rb(SpaceTimeGrid::makeFourDimRedBlackGrid(grid_.get()));
     } else {
-      std::cout
+      std::cout << GridLogError 
           << "Error in GridFourDimModule: lattice dimension different from 4"
           << std::endl;
       exit(1);
@@ -112,10 +125,9 @@ class GridFourDimModule : public GridModule {
   }
 };
 
+typedef GridFourDimModule<vComplex> GridDefaultFourDimModule;
 
 
-
-}  // namespace QCD
 }  // namespace Grid
 
 #endif  // HMC_GRID_MODULES

lib/qcd/hmc/integrators/Integrator.h

@@ -131,6 +131,49 @@ class Integrator {
     as[level].apply(update_P_hireps, Representations, Mom, U, ep);
   }
 
+  void implicit_update_P(MomentaField& Mom, Field& U, int level, double ep) {
+    // Fundamental updates, include smearing
+    MomentaField Msum(Mom._grid);
+    Msum = zero;
+    for (int a = 0; a < as[level].actions.size(); ++a) {
+      // Compute the force 
+      // We need to compute the derivative of the actions
+      // only once
+      Field force(U._grid);
+      conformable(U._grid, Mom._grid);
+      Field& Us = Smearer.get_U(as[level].actions.at(a)->is_smeared);
+      as[level].actions.at(a)->deriv(Us, force);  // deriv should NOT include Ta
+
+      std::cout << GridLogIntegrator << "Smearing (on/off): " << as[level].actions.at(a)->is_smeared << std::endl;
+      if (as[level].actions.at(a)->is_smeared) Smearer.smeared_force(force);
+      force = FieldImplementation::projectForce(force); // Ta for gauge fields
+      Real force_abs = std::sqrt(norm2(force)/U._grid->gSites());
+      std::cout << GridLogIntegrator << "Force average: " << force_abs << std::endl;
+      Msum += force;
+    }
+
+    MomentaField NewMom = Mom;
+    MomentaField OldMom = Mom;
+    double threshold = 1e-6;
+    // Here run recursively
+    do{
+      MomentaField MomDer(Mom._grid);
+      OldMom = NewMom;
+      // Compute the derivative of the kinetic term
+      // with respect to the gauge field
+
+      // Laplacian.Mder(NewMom, MomDer);
+      // NewMom = Mom - ep*(MomDer + Msum);
+
+    } while (norm2(NewMom - OldMom) > threshold);
+
+    Mom = NewMom;
+
+
+    // update the auxiliary fields momenta
+  }
+
+
   void update_U(Field& U, double ep) {
     update_U(P, U, ep);
 

lib/qcd/hmc/integrators/Integrator_algorithm.h

@@ -285,6 +285,74 @@ class ForceGradient : public Integrator<FieldImplementation, SmearingPolicy,
     }
   }
 };
+
+
+////////////////////////////////
+// Riemannian Manifold HMC
+// Girolami et al
+////////////////////////////////
+
+
+
+
+template <class FieldImplementation, class SmearingPolicy,
+          class RepresentationPolicy =
+              Representations<FundamentalRepresentation> >
+class ImplicitLeapFrog : public Integrator<FieldImplementation, SmearingPolicy,
+                                           RepresentationPolicy> {
+ public:
+  typedef ImplicitLeapFrog<FieldImplementation, SmearingPolicy, RepresentationPolicy>
+      Algorithm;
+  INHERIT_FIELD_TYPES(FieldImplementation);
+
+  // Riemannian manifold metric operator
+  // Hermitian operator Fisher
+
+  std::string integrator_name(){return "ImplicitLeapFrog";}
+
+  ImplicitLeapFrog(GridBase* grid, IntegratorParameters Par,
+           ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
+      : Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
+            grid, Par, Aset, Sm){};
+
+  void step(Field& U, int level, int _first, int _last) {
+    int fl = this->as.size() - 1;
+    // level  : current level
+    // fl     : final level
+    // eps    : current step size
+
+    // Get current level step size
+    RealD eps = this->Params.trajL/this->Params.MDsteps;
+    for (int l = 0; l <= level; ++l) eps /= this->as[l].multiplier;
+
+    int multiplier = this->as[level].multiplier;
+    for (int e = 0; e < multiplier; ++e) {
+      int first_step = _first && (e == 0);
+      int last_step = _last && (e == multiplier - 1);
+
+      if (first_step) {  // initial half step
+       this->implicit_update_P(U, level, eps / 2.0);
+      }
+
+      if (level == fl) {  // lowest level
+        this->update_U(U, eps);
+      } else {  // recursive function call
+        this->step(U, level + 1, first_step, last_step);
+      }
+
+      int mm = last_step ? 1 : 2;
+      this->update_P(U, level, mm * eps / 2.0);
+    }
+  }
+};
+
+
+
+
+
+
+
+
 }
 }