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38 /* This file is completely threadsafe - keep it that way! */
41 #include "broadcaststructs.h"
43 #include "gromacs/fileio/tpxio.h"
44 #include "gromacs/gmxlib/network.h"
45 #include "gromacs/mdtypes/commrec.h"
46 #include "gromacs/mdtypes/state.h"
48 template<typename AllocatorType>
49 static void bcastPaddedRVecVector(const t_commrec* cr, gmx::PaddedVector<gmx::RVec, AllocatorType>* v, int numAtoms)
51 v->resizeWithPadding(numAtoms);
52 nblock_bc(cr, makeArrayRef(*v));
55 void broadcastStateWithoutDynamics(const t_commrec* cr, t_state* state)
57 GMX_RELEASE_ASSERT(!DOMAINDECOMP(cr),
58 "broadcastStateWithoutDynamics should only be used for special cases "
59 "without domain decomposition");
66 /* Broadcasts the state sizes and flags from the master to all ranks
67 * in cr->mpi_comm_mygroup.
69 block_bc(cr, state->natoms);
70 block_bc(cr, state->flags);
72 for (int i = 0; i < estNR; i++)
74 if (state->flags & (1 << i))
78 case estLAMBDA: nblock_bc(cr, efptNR, state->lambda.data()); break;
79 case estFEPSTATE: block_bc(cr, state->fep_state); break;
80 case estBOX: block_bc(cr, state->box); break;
81 case estX: bcastPaddedRVecVector(cr, &state->x, state->natoms); break;
83 GMX_RELEASE_ASSERT(false,
84 "The state has a dynamic entry, while no dynamic entries "
92 static void bc_tpxheader(const t_commrec* cr, TpxFileHeader* tpx)
94 block_bc(cr, tpx->bIr);
95 block_bc(cr, tpx->bBox);
96 block_bc(cr, tpx->bTop);
97 block_bc(cr, tpx->bX);
98 block_bc(cr, tpx->bV);
99 block_bc(cr, tpx->bF);
100 block_bc(cr, tpx->natoms);
101 block_bc(cr, tpx->ngtc);
102 block_bc(cr, tpx->lambda);
103 block_bc(cr, tpx->fep_state);
104 block_bc(cr, tpx->sizeOfTprBody);
105 block_bc(cr, tpx->fileVersion);
106 block_bc(cr, tpx->fileGeneration);
107 block_bc(cr, tpx->isDouble);
110 static void bc_tprCharBuffer(const t_commrec* cr, std::vector<char>* charBuffer)
112 int elements = charBuffer->size();
113 block_bc(cr, elements);
115 nblock_abc(cr, elements, charBuffer);
118 void init_parallel(t_commrec* cr, t_inputrec* inputrec, gmx_mtop_t* mtop, PartialDeserializedTprFile* partialDeserializedTpr)
120 bc_tpxheader(cr, &partialDeserializedTpr->header);
121 bc_tprCharBuffer(cr, &partialDeserializedTpr->body);
124 completeTprDeserialization(partialDeserializedTpr, inputrec, mtop);