transfer.h

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#ifndef HCONTAINERTRANSFER_H
#define HCONTAINERTRANSFER_H
 
#include <unordered_map>
#include <vector>
 
#include "source_base/vector3.h"
#include "./hcontainer.h"
 
#ifdef __MPI
namespace hamilt
{
 
template <typename T>
class HTransPara
{
  public:
    HTransPara(int n_processes, HContainer<T>* hr_in);
    ~HTransPara();
 
    void cal_orb_indexes(int irank, std::vector<int>* orb_indexes = nullptr);
 
    void receive_ap_indexes(int irank, const int* ap_indexes_in = nullptr, const long& size_ap_indexes_in = 0);
 
    void send_orb_indexes(int irank, MPI_Request* request = nullptr);
 
    void send_data(int irank, MPI_Request* request = nullptr);
 
    void receive_data(int irank, const T* values = nullptr);
 
    void pack_data(int irank, T* values = nullptr);
 
    long get_max_size() const;
    void get_value_size(int* out) const;
 
  private:
    std::vector<std::vector<int>> ap_indexes;
    HContainer<T>* hr = nullptr;
 
    // temporary variables
    std::vector<std::vector<int>> atom_i_index;
 
    const Parallel_Orbitals* paraV = nullptr;
 
    // unpack BaseMatrix-values from ith rank
    void unpack_data(int irank, const T* values);
 
    // size of data of all BaseMatrixes
    std::vector<long> size_values;
};
 
template <typename T>
class HTransSerial
{
  public:
    HTransSerial(int n_processes, HContainer<T>* hr_in);
    ~HTransSerial();
 
    void cal_ap_indexes(int irank, std::vector<int>* ap_indexes = nullptr);
 
    void send_ap_indexes(int irank, MPI_Request* request = nullptr);
 
    void receive_orb_indexes(int irank, const int* orb_indexes_in = nullptr, const long& size_orb_indexes_in = 0);
 
    void send_data(int irank, MPI_Request* request = nullptr);
 
    void receive_data(int irank, const T* values = nullptr);
 
    void pack_data(int irank, T* values = nullptr);
 
    long get_max_size() const;
    void get_value_size(int* out) const;
 
  private:
    std::vector<std::vector<int>> orb_indexes;
    HContainer<T>* hr = nullptr;
 
    void unpack_data(int irank, const T* values);
 
    // temporary variables
    std::vector<std::unordered_map<int, int>> orb_col_indexes;
    std::vector<std::unordered_map<int, int>> orb_row_indexes;
 
    // size of data of all BaseMatrixes
    std::vector<long> size_values;
};
 
} // namespace hamilt
 
template <typename T>
struct MPITraits;
 
template <>
struct MPITraits<int>
{
    static MPI_Datatype datatype()
    {
        return MPI_INT;
    }
};
 
template <>
struct MPITraits<double>
{
    static MPI_Datatype datatype()
    {
        return MPI_DOUBLE;
    }
};
 
template <>
struct MPITraits<std::complex<double>>
{
    static MPI_Datatype datatype()
    {
        return MPI_DOUBLE_COMPLEX;
    }
};
 
#endif // __MPI
 
#endif // HCONTAINERTRANSFER_H