Initial MPI

flake.lock

@@ -5,11 +5,11 @@
         "systems": "systems"
       },
       "locked": {
-        "lastModified": 1689068808,
+        "lastModified": 1694529238,
-        "narHash": "sha256-6ixXo3wt24N/melDWjq70UuHQLxGV8jZvooRanIHXw0=",
+        "narHash": "sha256-zsNZZGTGnMOf9YpHKJqMSsa0dXbfmxeoJ7xHlrt+xmY=",
         "owner": "numtide",
         "repo": "flake-utils",
-        "rev": "919d646de7be200f3bf08cb76ae1f09402b6f9b4",
+        "rev": "ff7b65b44d01cf9ba6a71320833626af21126384",
         "type": "github"
       },
       "original": {
@@ -20,11 +20,11 @@
     },
     "nixpkgs": {
       "locked": {
-        "lastModified": 1690031011,
+        "lastModified": 1696193975,
-        "narHash": "sha256-kzK0P4Smt7CL53YCdZCBbt9uBFFhE0iNvCki20etAf4=",
+        "narHash": "sha256-mnQjUcYgp9Guu3RNVAB2Srr1TqKcPpRXmJf4LJk6KRY=",
         "owner": "NixOS",
         "repo": "nixpkgs",
-        "rev": "12303c652b881435065a98729eb7278313041e49",
+        "rev": "fdd898f8f79e8d2f99ed2ab6b3751811ef683242",
         "type": "github"
       },
       "original": {

flake.nix

@@ -15,7 +15,7 @@
       in
       {
         devShells.default = pkgs.mkShell {
-          packages = with pkgs; [ gcc cmake clang gnuplot llvmPackages.openmp bc ];
+          packages = with pkgs; [ gcc cmake clang gnuplot llvmPackages.openmp bc boost openmpi ];
         };
       });
 }

src/main.cpp

@@ -16,6 +16,10 @@
 #include "md/Space.hpp"
 #include "md/System.hpp"
 
+#include <boost/mpi/communicator.hpp>
+#include <boost/mpi/environment.hpp>
+namespace mpi = boost::mpi;
+
 int main() {
   std::cout << "kk eae men" << std::endl;
 
@@ -44,5 +48,11 @@ int main() {
   std::cout << "Getting neighboring cells of index 0" << std::endl;
   Cell neighboringCells = space.getNeighboringCells(0);
 
+  mpi::environment  env;
+  mpi::communicator world;
+
+  std::cout << "Hello, world! I am process " << world.rank() << " of " << world.size() << "."
+            << std::endl;
+
   return 0;
 }

src/md/CMakeLists.txt

@@ -1,5 +1,7 @@
 # Copyright (c) 2023 jun <https://git.firmwarejun.net/jun/MolecularDynamics2>
 
+cmake_minimum_required(VERSION 3.25.2)
+
 project(md)
 
 add_library(md
@@ -8,3 +10,11 @@ add_library(md
   AtomsGenerator.cpp
   System.cpp
   Space.cpp)
+
+find_package(MPI REQUIRED)
+include_directories(${MPI_CXX_INCLUDE_PATH})
+target_link_libraries(md ${MPI_CXX_LIBRARIES})
+
+find_package(Boost REQUIRED COMPONENTS mpi)
+include_directories(${Boost_INCLUDE_DIRS})
+target_link_libraries(md ${Boost_LIBRARIES})

src/md/Space.hpp

@@ -15,6 +15,8 @@
 
 #include "Atom.hpp"
 
+#include <boost/mpi/datatype.hpp>
+
 class Space;
 
 /**
@@ -127,3 +129,5 @@ public:
    */
   Cell getNeighboringCells(int x, int y, int z) const;
 };
+
+BOOST_IS_MPI_DATATYPE(Cell);