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37 /* This file is completely threadsafe - keep it that way! */
40 #include "broadcaststructs.h"
42 #include "gromacs/fileio/tpxio.h"
43 #include "gromacs/gmxlib/network.h"
44 #include "gromacs/mdtypes/commrec.h"
45 #include "gromacs/mdtypes/state.h"
47 template <typename AllocatorType>
48 static void bcastPaddedRVecVector(const t_commrec *cr, gmx::PaddedVector<gmx::RVec, AllocatorType> *v, int numAtoms)
50 v->resizeWithPadding(numAtoms);
51 nblock_bc(cr, makeArrayRef(*v));
54 void broadcastStateWithoutDynamics(const t_commrec *cr, t_state *state)
56 GMX_RELEASE_ASSERT(!DOMAINDECOMP(cr), "broadcastStateWithoutDynamics should only be used for special cases without domain decomposition");
63 /* Broadcasts the state sizes and flags from the master to all ranks
64 * in cr->mpi_comm_mygroup.
66 block_bc(cr, state->natoms);
67 block_bc(cr, state->flags);
69 for (int i = 0; i < estNR; i++)
71 if (state->flags & (1 << i))
76 nblock_bc(cr, efptNR, state->lambda.data());
79 block_bc(cr, state->fep_state);
82 block_bc(cr, state->box);
85 bcastPaddedRVecVector(cr, &state->x, state->natoms);
88 GMX_RELEASE_ASSERT(false, "The state has a dynamic entry, while no dynamic entries should be present");
95 static void bc_tpxheader(const t_commrec *cr, TpxFileHeader *tpx)
97 block_bc(cr, tpx->bIr);
98 block_bc(cr, tpx->bBox);
99 block_bc(cr, tpx->bTop);
100 block_bc(cr, tpx->bX);
101 block_bc(cr, tpx->bV);
102 block_bc(cr, tpx->bF);
103 block_bc(cr, tpx->natoms);
104 block_bc(cr, tpx->ngtc);
105 block_bc(cr, tpx->lambda);
106 block_bc(cr, tpx->fep_state);
107 block_bc(cr, tpx->sizeOfTprBody);
108 block_bc(cr, tpx->fileVersion);
109 block_bc(cr, tpx->fileGeneration);
110 block_bc(cr, tpx->isDouble);
113 static void bc_tprCharBuffer(const t_commrec *cr, std::vector<char> *charBuffer)
115 int elements = charBuffer->size();
116 block_bc(cr, elements);
118 nblock_abc(cr, elements, charBuffer);
121 void init_parallel(t_commrec *cr,
122 t_inputrec *inputrec,
124 PartialDeserializedTprFile *partialDeserializedTpr)
126 bc_tpxheader(cr, &partialDeserializedTpr->header);
127 bc_tprCharBuffer(cr, &partialDeserializedTpr->body);
130 completeTprDeserialization(partialDeserializedTpr,