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36 /*! \libinternal \file
38 * \brief Convenience wrappers for broadcasting structs.
40 * \author Mark Abraham <mark.j.abraham@gmail.com>
43 * \ingroup module_mdlib
45 #ifndef GMX_MDLIB_BROADCASTSTRUCTS_H
46 #define GMX_MDLIB_BROADCASTSTRUCTS_H
50 #include "gromacs/gmxlib/network.h"
51 #include "gromacs/mdtypes/commrec.h"
52 #include "gromacs/utility/arrayref.h"
53 #include "gromacs/utility/smalloc.h"
60 //! Convenience wrapper for gmx_bcast of a single value.
62 void block_bc(const t_commrec *cr, T &data)
64 gmx_bcast(sizeof(T), static_cast<void *>(&data), cr);
66 //! Convenience wrapper for gmx_bcast of a C-style array.
68 void nblock_bc(const t_commrec *cr, int numElements, T *data)
70 gmx_bcast(numElements * sizeof(T), static_cast<void *>(data), cr);
72 //! Convenience wrapper for gmx_bcast of an ArrayRef<T>
74 void nblock_bc(const t_commrec *cr, gmx::ArrayRef<T> data)
76 gmx_bcast(data.size() * sizeof(T), static_cast<void *>(data.data()), cr);
78 //! Convenience wrapper for allocation with snew of vectors that need allocation on non-master ranks.
80 void snew_bc(const t_commrec *cr, T * &data, int numElements)
84 snew(data, numElements);
87 //! Convenience wrapper for gmx_bcast of a C-style array which needs allocation on non-master ranks.
89 void nblock_abc(const t_commrec *cr, int numElements, T **v)
91 snew_bc(cr, v, numElements);
92 nblock_bc(cr, numElements, *v);
94 //! Convenience wrapper for gmx_bcast of a std::vector which needs resizing on non-master ranks.
96 void nblock_abc(const t_commrec *cr, int numElements, std::vector<T> *v)
100 v->resize(numElements);
102 gmx_bcast(numElements*sizeof(T), v->data(), cr);
105 //! \brief Broadcasts the, non-dynamic, state from the master to all ranks in cr->mpi_comm_mygroup
107 // This is intended to be used with MPI parallelization without
108 // domain decompostion (currently with NM and TPI).
109 void broadcastStateWithoutDynamics(const t_commrec *cr, t_state *state);
111 //! \brief Broadcast inputrec and mtop and allocate node-specific settings
112 void init_parallel(t_commrec *cr, t_inputrec *inputrec,