Merge branch 'develop' into feature/qed-fvol

lib/algorithms/Algorithms.h

@@ -39,6 +39,7 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 #include <Grid/algorithms/approx/MultiShiftFunction.h>
 #include <Grid/algorithms/approx/Forecast.h>
 
+#include <Grid/algorithms/iterative/Deflation.h>
 #include <Grid/algorithms/iterative/ConjugateGradient.h>
 #include <Grid/algorithms/iterative/ConjugateResidual.h>
 #include <Grid/algorithms/iterative/NormalEquations.h>

lib/algorithms/iterative/Deflation.h

@@ -0,0 +1,101 @@
+    /*************************************************************************************
+
+    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>
+
+    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_DEFLATION_H
+#define GRID_DEFLATION_H
+
+namespace Grid { 
+
+struct ZeroGuesser {
+public:
+  template<class Field> 
+  void operator()(const Field &src,Field &guess) { guess = Zero(); };
+};
+struct SourceGuesser {
+public:
+  template<class Field> 
+  void operator()(const Field &src,Field &guess) { guess = src; };
+};
+
+////////////////////////////////
+// Fine grid deflation
+////////////////////////////////
+template<class Field>
+struct DeflatedGuesser {
+private:
+  const std::vector<Field> &evec;
+  const std::vector<RealD> &eval;
+
+public:
+
+  DeflatedGuesser(const std::vector<Field> & _evec,const std::vector<RealD> & _eval) : evec(_evec), eval(_eval) {};
+
+  void operator()(const Field &src,Field &guess) { 
+    guess = zero;
+    assert(evec.size()==eval.size());
+    auto N = evec.size();
+    for (int i=0;i<N;i++) {
+      Field& tmp = evec[i];
+      axpy(guess,TensorRemove(innerProduct(tmp,src)) / eval[i],tmp,guess);
+    }
+  }
+};
+
+template<class FineField, class CoarseField>
+class LocalCoherenceDeflatedGuesser {
+private:
+  const std::vector<FineField>   &subspace;
+  const std::vector<CoarseField> &evec_coarse;
+  const std::vector<RealD>       &eval_coarse;
+public:
+  
+  LocalCoherenceDeflatedGuesser(const std::vector<FineField>   &_subspace,
+				const std::vector<CoarseField> &_evec_coarse,
+				const std::vector<RealD>       &_eval_coarse)
+    : subspace(_subspace), 
+      evec_coarse(_evec_coarse), 
+      eval_coarse(_eval_coarse)  
+  {
+  }
+  
+  void operator()(const FineField &src,FineField &guess) { 
+    int N = (int)evec_coarse.size();
+    CoarseField src_coarse(evec_coarse[0]._grid);
+    CoarseField guess_coarse(evec_coarse[0]._grid);    guess_coarse = zero;
+    blockProject(src,src_coarse,subspace);    
+    for (int i=0;i<N;i++) {
+      CoarseField & tmp = evec_coarse[i];
+      axpy(guess_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,guess_coarse);
+    }
+    blockPromote(guess_coarse,guess,subspace);
+  };
+};
+
+
+
+}
+#endif

lib/algorithms/iterative/ImplicitlyRestartedLanczos.h

@@ -149,19 +149,6 @@ void basisSortInPlace(std::vector<Field> & _v,std::vector<RealD>& sort_vals, boo
   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
 /////////////////////////////////////////////////////////////
@@ -245,12 +232,6 @@ class ImplicitlyRestartedLanczos {
   
 public:       
 
-  static void Deflate(const std::vector<Field> &_v,
-		      const std::vector<RealD>& eval,
-		      const Field& src_orig,Field& result) {
-    basisDeflate(_v,eval,src_orig,result);
-  }
-
   //////////////////////////////////////////////////////////////////
   // PAB:
   //////////////////////////////////////////////////////////////////

lib/algorithms/iterative/LocalCoherenceLanczos.h

@@ -31,6 +31,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
 
 namespace Grid { 
 
+
 struct LanczosParams : Serializable {
  public:
   GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParams,
@@ -240,21 +241,6 @@ private:
   std::vector<CoarseField>                        _evec_coarse;
 
 public:
-  static void Deflate(std::vector<FineField>   subspace,
-		      std::vector<CoarseField> evec_coarse,
-		      std::vector<RealD>       eval_coarse,
-		      const FineField& src_orig,FineField& result) 
-  {
-    int N = (int)evec_coarse.size();
-    CoarseField src_coarse(evec_coarse[0]._grid);
-    CoarseField res_coarse(evec_coarse[0]._grid);    res_coarse = zero;
-    blockProject(src_orig,src_coarse,subspace);    
-    for (int i=0;i<N;i++) {
-      CoarseField & tmp = evec_coarse[i];
-      axpy(res_coarse,TensorRemove(innerProduct(tmp,src_coarse)) / eval_coarse[i],tmp,res_coarse);
-    }
-    blockPromote(res_coarse,result,subspace);
-  };
 
   LocalCoherenceLanczos(GridBase *FineGrid,
 			GridBase *CoarseGrid,

lib/algorithms/iterative/SchurRedBlack.h

@@ -107,7 +107,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out, Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -129,7 +134,6 @@ namespace Grid {
       pickCheckerboard(Odd ,src_o,in);
       pickCheckerboard(Even,sol_e,out);
       pickCheckerboard(Odd ,sol_o,out);
-
       std::cout << GridLogMessage << " SchurRedBlackStaggeredSolve checkerboards picked" <<std::endl;
     
       /////////////////////////////////////////////////////
@@ -146,6 +150,7 @@ namespace Grid {
       // Call the red-black solver
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver calling the Mpc solver" <<std::endl;
+      guess(src_o,sol_o);
       _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
       std::cout<<GridLogMessage << "SchurRedBlackStaggeredSolver called  the Mpc solver" <<std::endl;
 
@@ -189,7 +194,12 @@ namespace Grid {
     CBfactorise=cb;
   };
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -225,6 +235,7 @@ namespace Grid {
       // Call the red-black solver
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
+      guess(src_o,sol_o);
       _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
 
       ///////////////////////////////////////////////////
@@ -268,7 +279,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix,class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -305,6 +321,7 @@ namespace Grid {
       //////////////////////////////////////////////////////////////
       std::cout<<GridLogMessage << "SchurRedBlack solver calling the MpcDagMp solver" <<std::endl;
 //      _HermitianRBSolver(_HermOpEO,src_o,sol_o);  assert(sol_o.checkerboard==Odd);
+      guess(src_o,tmp);
       _HermitianRBSolver(_HermOpEO,src_o,tmp);  assert(tmp.checkerboard==Odd);
       _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
 
@@ -347,7 +364,12 @@ namespace Grid {
     };
 
     template<class Matrix>
-      void operator() (Matrix & _Matrix,const Field &in, Field &out){
+    void operator() (Matrix & _Matrix,const Field &in, Field &out){
+      ZeroGuesser guess;
+      (*this)(_Matrix,in,out,guess);
+    }
+    template<class Matrix, class Guesser>
+    void operator() (Matrix & _Matrix,const Field &in, Field &out,Guesser &guess){
 
       // FIXME CGdiagonalMee not implemented virtual function
       // FIXME use CBfactorise to control schur decomp
@@ -385,6 +407,7 @@ namespace Grid {
       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);
+      guess(src_o,tmp);
       _HermitianRBSolver(src_o,tmp);  assert(tmp.checkerboard==Odd);
       _Matrix.MooeeInv(tmp,sol_o);        assert(  sol_o.checkerboard   ==Odd);
 

lib/communicator/Communicator_mpi3.cc

@@ -44,7 +44,10 @@ void CartesianCommunicator::Init(int *argc, char ***argv)
   MPI_Initialized(&flag); // needed to coexist with other libs apparently
   if ( !flag ) {
     MPI_Init_thread(argc,argv,MPI_THREAD_MULTIPLE,&provided);
-    assert (provided == MPI_THREAD_MULTIPLE);
+    //If only 1 comms thread we require any threading mode other than SINGLE, but for multiple comms threads we need MULTIPLE
+    if( (nCommThreads == 1 && provided == MPI_THREAD_SINGLE) ||
+        (nCommThreads > 1 && provided != MPI_THREAD_MULTIPLE) )
+      assert(0);
   }
 
   Grid_quiesce_nodes();
@@ -86,10 +89,16 @@ void  CartesianCommunicator::ProcessorCoorFromRank(int rank, std::vector<int> &c
 CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors) 
 {
   MPI_Comm optimal_comm;
-  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm); // Remap using the shared memory optimising routine
+  ////////////////////////////////////////////////////
+  // Remap using the shared memory optimising routine
+  // The remap creates a comm which must be freed
+  ////////////////////////////////////////////////////
+  GlobalSharedMemory::OptimalCommunicator    (processors,optimal_comm);
   InitFromMPICommunicator(processors,optimal_comm);
   SetCommunicator(optimal_comm);
+  ///////////////////////////////////////////////////
   // Free the temp communicator
+  ///////////////////////////////////////////////////
   MPI_Comm_free(&optimal_comm);
 }
 
@@ -200,7 +209,9 @@ CartesianCommunicator::CartesianCommunicator(const std::vector<int> &processors,
   //////////////////////////////////////////////////////////////////////////////////////////////////////
   SetCommunicator(comm_split);
   
+  ///////////////////////////////////////////////
   // Free the temp communicator 
+  ///////////////////////////////////////////////
   MPI_Comm_free(&comm_split);
 
   if(0){ 

lib/communicator/SharedMemory.h

@@ -133,6 +133,7 @@ class SharedMemory
 
  public:
   SharedMemory() {};
+  ~SharedMemory();
   ///////////////////////////////////////////////////////////////////////////////////////
   // set the buffers & sizes
   ///////////////////////////////////////////////////////////////////////////////////////

lib/communicator/SharedMemoryMPI.cc

@@ -399,5 +399,9 @@ void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
     return (void *) remote;
   }
 }
+SharedMemory::~SharedMemory()
+{
+  MPI_Comm_free(&ShmComm);
+};
 
 }

lib/communicator/SharedMemoryNone.cc

@@ -122,5 +122,7 @@ void *SharedMemory::ShmBufferTranslate(int rank,void * local_p)
 {
   return NULL;
 }
+SharedMemory::~SharedMemory()
+{};
 
 }