parallel opendf

CMakeLists.txt

@@ -20,6 +20,7 @@ option(AutoSetCXX11 "Auto set c++11 flags" ON)
 if (AutoSetCXX11)
     set_cxx11()
 endif (AutoSetCXX11)
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DBOOST_MATH_DISABLE_FLOAT128")
 # Print build type
 message(STATUS "Build type: ${CMAKE_BUILD_TYPE}")
 
@@ -28,9 +29,7 @@ find_package(ALPSCore REQUIRED COMPONENTS hdf5 accumulators mc params HINTS ${AL
 
 # Dependencies
 add_alpscore()
-if (NOT ALPSCore_HAS_EIGEN_VERSION)
-    add_eigen3()
-endif (NOT ALPSCore_HAS_EIGEN_VERSION)
+add_eigen3()
 add_gftools()
 option(BuildPython "Build python modules" OFF)
 if (BuildPython)
@@ -46,9 +45,6 @@ endif()
 # fftw3
 add_fftw3()
 
-# https://stackoverflow.com/questions/25365160/boostmultiprecisionfloat128-and-c11
-add_definitions("-fext-numeric-literals")
-
 ### add source/binary root of the project to included path
 include_directories(
     ${CMAKE_SOURCE_DIR}

README.md

@@ -24,7 +24,7 @@ hub_df_cubicNd --help
 ```
 
 ### Dependencies:
-- c++11 - compatible c++ compiler
+- c++11 - compatible c++ compiler; To link to the current ALPSCore, set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DBOOST_MATH_DISABLE_FLOAT128")
 - *cmake*
 - *eigen3* (header-only) : http://eigen.tuxfamily.org/. CMake option: `-DEIGEN3_INCLUDE_DIR=path_to_eigen3_headers`.
 - *fftw*. Cmake option : `-DFFTW_ROOT=path_to_fftw_prefix` (that is before include or lib).

build.txt

@@ -0,0 +1 @@
+CC=mpicc CXX=mpicxx HDF5_ROOT=$HOME/software/install cmake -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=$HOME/triangular_project/install -DFFTW_ROOT=$HOME/software/fftw-3.3.8/install -DNFFT3_ROOT=$HOME/software/install/ -DEIGEN3_INCLUDE_DIR=$HOME/software/install/include/eigen3 -DBOOST_ROOT=$HOME/software/install -DBoost_NO_SYSTEM_PATHS=ON -DBoost_NO_BOOST_CMAKE=ON -DLAPACK_LIBRARIES=$HOME/software/OpenBLAS/libopenblas.so.0 -DBLAS_LIBRARIES=$HOME/software/OpenBLAS/libopenblas.so.0 -DALPSCore_DIR=$HOME/software/ALPSCore_dir/install/share/ALPSCore/ ..

include/opendf/df_hubbard.hpp

@@ -1,6 +1,7 @@
 #pragma once 
 #include "opendf/df_base.hpp"
 
+
 namespace open_df { 
 
 /// Dual fermion evaluation of a spin-symmetric Hubbard model without spatial symmetry breaking

include/opendf/lattice_traits.hpp

@@ -86,7 +86,7 @@ struct triangular_traits : lattice_traits_base<2,triangular_traits> {
     real_type _tp = 1.0;
     triangular_traits(real_type t, real_type tp):_t(t),_tp(tp){};
 
-    real_type dispersion(real_type kx,real_type ky){return -2.*_t*(cos(kx)+cos(ky)) - 2.*_tp*cos(kx-ky);};
+    real_type dispersion(real_type kx,real_type ky){return -2.*_t*cos(kx) - 2.0*_t*cos(ky) - 2.*_tp*cos(kx-ky);};
     real_type dispersion(typename base::arg_tuple x) { return base::dispersion(x); }
     real_type dispersion(typename base::bz_point x) { return base::dispersion(x); }
     real_type disp_square_sum(){return 4.*_t*_t + 2.*_tp*_tp;}; 

prog/data_save.hpp

@@ -133,7 +133,7 @@ void save_data(SCType const& sc, typename SCType::gw_type new_delta, alps::param
 
         // add here points for fluctuation diagnostics
         fluct_pts.reserve(4);
-        // add pi/2 pi/2
+        // add pi/2 pi/2Raman demo session
         bz_point p1 = gftools::tuple_tools::repeater<kmesh::point, D>::get_array(k_pi_half);
         fluct_pts.push_back(p1); 
         // add pi, 0

prog/hub_df.cpp

@@ -9,6 +9,8 @@
 
 #include <chrono>
 #include <alps/params.hpp>
+//#include "alps/hdf5.hpp"
+
 
 #include <opendf/lattice_traits.hpp>
 #include <opendf/df_hubbard.hpp>
@@ -53,19 +55,23 @@ typedef df_type::gw_type gw_type;
 typedef df_type::gk_type gk_type;
 typedef df_type::disp_type disp_type;
 
+#ifdef OPENDF_ENABLE_MPI
+  alps::mpi::communicator comm;
+#endif 
 
 inline void print_section (const std::string& str)
 {
-  std::cout << std::string(str.size(),'=') << std::endl;
-  std::cout << str << std::endl;
-  std::cout << std::string(str.size(),'=') << std::endl;
+  mpi_cout << std::string(str.size(),'=') << std::endl;
+  mpi_cout << str << std::endl;
+  mpi_cout << std::string(str.size(),'=') << std::endl;
 }
 
 void run(alps::params p)
 {
-    #ifdef OPENDF_ENABLE_MPI
-    alps::mpi::communicator comm;
-    #endif 
+    #ifdef OPENDF_ENABLE_MPI     
+      mpi_cout<<"number of process "<<comm.size()<<std::endl;
+      mpi_cout<<"rank id "<<comm.rank()<<std::endl;
+    #endif
 
     print_section("DF ladder in " + std::to_string(D) + " dimensions.");
     // read input data
@@ -156,10 +162,11 @@ void run(alps::params p)
     end = steady_clock::now();
 
     #ifdef OPENDF_ENABLE_MPI
+    MPI_Barrier(MPI_COMM_WORLD);
     if (!comm.rank()) 
     #endif
         { 
-
+        //std::cout<<"comm.rank "<<comm.rank()<<std::endl;
         mpi_cout << "Calculation lasted : " 
             << duration_cast<hours>(end-start).count() << "h " 
             << duration_cast<minutes>(end-start).count()%60 << "m " 
@@ -189,6 +196,10 @@ void run(alps::params p)
             d0.savetxt("density_vertex_input_W0.dat");
             }
         }
+
+    #ifdef OPENDF_ENABLE_MPI
+    MPI_Barrier(MPI_COMM_WORLD);
+    #endif
 }
 
 
@@ -197,29 +208,34 @@ void run(alps::params p)
 // 
 
 #ifndef BUILD_PYTHON_MODULE
-alps::params cmdline_params(int argc, char* argv[]);
+alps::params cmdline_params(int argc, char** argv);
 
 int main(int argc, char *argv[])
 {
     #ifdef OPENDF_ENABLE_MPI
     MPI_Init(&argc, &argv);
     #endif
-
     try { 
         alps::params p = cmdline_params(argc, argv); 
         run(p); 
         }
     catch (std::exception &e) { std::cerr << e.what() << std::endl; exit(1); };
-
+
+    #ifdef OPENDF_ENABLE_MPI
+    MPI_Barrier(MPI_COMM_WORLD);
+    MPI_Finalize();
+    #endif    
 }
 
 
-alps::params cmdline_params(int argc, char* argv[])
+alps::params cmdline_params(int argc, char** argv)
 {
-    alps::params p(argc, (const char**)argv);
+    alps::params p(argc, argv);
     p.description("Dual fermions for the Hubbard model in " + std::to_string(D) + " dimensions.");
-
     df_type::define_parameters(p);
+
+
+
     save_define_parameters(p);
 
     p