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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/smalloc.h"
56 struct PartialDeserializedTprFile
;
65 //! Convenience wrapper for gmx_bcast to communicator of a single value.
67 void block_bc(MPI_Comm communicator
, T
& data
)
69 gmx_bcast(sizeof(T
), static_cast<void*>(&data
), communicator
);
71 //! Convenience wrapper for gmx_bcast to communicator of a C-style array.
73 void nblock_bc(MPI_Comm communicator
, int numElements
, T
* data
)
75 gmx_bcast(numElements
* sizeof(T
), static_cast<void*>(data
), communicator
);
77 //! Convenience wrapper for gmx_bcast to communicator of an ArrayRef<T>
79 void nblock_bc(MPI_Comm communicator
, gmx::ArrayRef
<T
> data
)
81 gmx_bcast(data
.size() * sizeof(T
), static_cast<void*>(data
.data()), communicator
);
83 //! Convenience wrapper for allocation with snew of vectors that need allocation on non-master ranks.
85 void snew_bc(bool isMasterRank
, T
*& data
, int numElements
)
89 snew(data
, numElements
);
92 //! Convenience wrapper for gmx_bcast of a C-style array which needs allocation on non-master ranks.
94 void nblock_abc(bool isMasterRank
, MPI_Comm communicator
, int numElements
, T
** v
)
96 snew_bc(isMasterRank
, v
, numElements
);
97 nblock_bc(communicator
, numElements
, *v
);
99 //! Convenience wrapper for gmx_bcast of a std::vector which needs resizing on non-master ranks.
101 void nblock_abc(bool isMasterRank
, MPI_Comm communicator
, int numElements
, std::vector
<T
>* v
)
105 v
->resize(numElements
);
107 gmx_bcast(numElements
* sizeof(T
), v
->data(), communicator
);
110 //! \brief Broadcasts the, non-dynamic, state from the master to all ranks in cr->mpi_comm_mygroup
112 // This is intended to be used with MPI parallelization without
113 // domain decompostion (currently with NM and TPI).
114 void broadcastStateWithoutDynamics(MPI_Comm communicator
,
115 bool useDomainDecomposition
,
119 //! \brief Broadcast inputrec and mtop and allocate node-specific settings
120 void init_parallel(MPI_Comm communicator
,
122 t_inputrec
* inputrec
,
124 PartialDeserializedTprFile
* partialDeserializedTpr
);