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.