Merge branch 'python' into lbgpu_node_vel

src/core/LocalBox.hpp

@@ -0,0 +1,39 @@
+#ifndef ESPRESSO_LOCALBOX_HPP
+#define ESPRESSO_LOCALBOX_HPP
+
+#include <utils/Vector.hpp>
+
+template <class T> class LocalBox {
+  Utils::Vector<T, 3> m_local_box_l = {1, 1, 1};
+  Utils::Vector<T, 3> m_lower_corner = {0, 0, 0};
+  Utils::Vector<T, 3> m_upper_corner = {1, 1, 1};
+  Utils::Array<int, 6> m_boundaries = {};
+
+public:
+  LocalBox() = default;
+  LocalBox(Utils::Vector<T, 3> const &lower_corner,
+           Utils::Vector<T, 3> const &local_box_length,
+           Utils::Array<int, 6> const &boundaries)
+      : m_local_box_l(local_box_length), m_lower_corner(lower_corner),
+        m_upper_corner(lower_corner + local_box_length),
+        m_boundaries(boundaries) {}
+
+  /** Left (bottom, front) corner of this nodes local box. */
+  Utils::Vector<T, 3> const &my_left() const { return m_lower_corner; }
+  /** Right (top, back) corner of this nodes local box. */
+  Utils::Vector<T, 3> const &my_right() const { return m_upper_corner; }
+  /** Dimensions of the box a single node is responsible for. */
+  Utils::Vector<T, 3> const &length() const { return m_local_box_l; }
+  /** @brief Boundary information for the local box.
+   *
+   * This returns for each of the faces of the local box if
+   * it is a boundary of the simulation box. The format is
+   * as follows:
+   *  (x low, x high, y low, y high, z low, z high).
+   *
+   * @return Array with boundary information.
+   */
+  Utils::Array<int, 6> const &boundary() const { return m_boundaries; }
+};
+
+#endif

src/core/communication.cpp

@@ -76,6 +76,7 @@
 #include <boost/serialization/array.hpp>
 #include <boost/serialization/string.hpp>
 #include <boost/serialization/utility.hpp>
+#include <utils/mpi/cart_comm.hpp>
 
 using namespace std;
 
@@ -217,11 +218,12 @@ void mpi_init() {
 #endif
 
   MPI_Comm_size(MPI_COMM_WORLD, &n_nodes);
-  MPI_Dims_create(n_nodes, 3, node_grid.data());
+  node_grid = Utils::Mpi::dims_create<3>(n_nodes);
 
-  mpi_reshape_communicator({{node_grid[0], node_grid[1], node_grid[2]}},
-                           /* periodicity */ {{1, 1, 1}});
-  MPI_Cart_coords(comm_cart, this_node, 3, node_pos.data());
+  comm_cart =
+      Utils::Mpi::cart_create(comm_cart, node_grid, /* reorder */ false);
+
+  this_node = comm_cart.rank();
 
   Communication::m_callbacks =
       std::make_unique<Communication::MpiCallbacks>(comm_cart);
@@ -236,17 +238,6 @@ void mpi_init() {
   on_program_start();
 }
 
-void mpi_reshape_communicator(std::array<int, 3> const &node_grid,
-                              std::array<int, 3> const &periodicity) {
-  MPI_Comm temp_comm;
-  MPI_Cart_create(MPI_COMM_WORLD, 3, const_cast<int *>(node_grid.data()),
-                  const_cast<int *>(periodicity.data()), 0, &temp_comm);
-  comm_cart =
-      boost::mpi::communicator(temp_comm, boost::mpi::comm_take_ownership);
-
-  this_node = comm_cart.rank();
-}
-
 /****************** REQ_PLACE/REQ_PLACE_NEW ************/
 
 void mpi_place_particle(int node, int id, const Utils::Vector3d &pos) {

src/core/communication.hpp

@@ -128,14 +128,6 @@ auto mpi_call(Tag tag, TagArg &&tag_arg, R (*fp)(Args...), ArgRef &&... args) {
 /** Process requests from master node. Slave nodes main loop. */
 void mpi_loop();
 
-/**
- * @brief Replace the MPI communicator by a new one with the given periodicity
- * and node grid.
- */
-void mpi_reshape_communicator(std::array<int, 3> const &node_grid,
-                              std::array<int, 3> const &periodicity = {
-                                  {1, 1, 1}});
-
 /** Issue REQ_PLACE: move particle to a position on a node.
  *  Also calls \ref on_particle_change.
  *  \param id    the particle to move.