#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/state.h"
-template <typename AllocatorType>
-static void bcastPaddedRVecVector(const t_commrec *cr, gmx::PaddedVector<gmx::RVec, AllocatorType> *v, int numAtoms)
+template<typename AllocatorType>
+static void bcastPaddedRVecVector(const t_commrec* cr, gmx::PaddedVector<gmx::RVec, AllocatorType>* v, int numAtoms)
{
v->resizeWithPadding(numAtoms);
nblock_bc(cr, makeArrayRef(*v));
}
-void broadcastStateWithoutDynamics(const t_commrec *cr, t_state *state)
+void broadcastStateWithoutDynamics(const t_commrec* cr, t_state* state)
{
- GMX_RELEASE_ASSERT(!DOMAINDECOMP(cr), "broadcastStateWithoutDynamics should only be used for special cases without domain decomposition");
+ GMX_RELEASE_ASSERT(!DOMAINDECOMP(cr),
+ "broadcastStateWithoutDynamics should only be used for special cases "
+ "without domain decomposition");
if (!PAR(cr))
{
{
switch (i)
{
- case estLAMBDA:
- nblock_bc(cr, efptNR, state->lambda.data());
- break;
- case estFEPSTATE:
- block_bc(cr, state->fep_state);
- break;
- case estBOX:
- block_bc(cr, state->box);
- break;
- case estX:
- bcastPaddedRVecVector(cr, &state->x, state->natoms);
- break;
+ case estLAMBDA: nblock_bc(cr, efptNR, state->lambda.data()); break;
+ case estFEPSTATE: block_bc(cr, state->fep_state); break;
+ case estBOX: block_bc(cr, state->box); break;
+ case estX: bcastPaddedRVecVector(cr, &state->x, state->natoms); break;
default:
- GMX_RELEASE_ASSERT(false, "The state has a dynamic entry, while no dynamic entries should be present");
+ GMX_RELEASE_ASSERT(false,
+ "The state has a dynamic entry, while no dynamic entries "
+ "should be present");
break;
}
}
}
}
-static void bc_tpxheader(const t_commrec *cr, TpxFileHeader *tpx)
+static void bc_tpxheader(const t_commrec* cr, TpxFileHeader* tpx)
{
block_bc(cr, tpx->bIr);
block_bc(cr, tpx->bBox);
block_bc(cr, tpx->isDouble);
}
-static void bc_tprCharBuffer(const t_commrec *cr, std::vector<char> *charBuffer)
+static void bc_tprCharBuffer(const t_commrec* cr, std::vector<char>* charBuffer)
{
int elements = charBuffer->size();
block_bc(cr, elements);
nblock_abc(cr, elements, charBuffer);
}
-void init_parallel(t_commrec *cr,
- t_inputrec *inputrec,
- gmx_mtop_t *mtop,
- PartialDeserializedTprFile *partialDeserializedTpr)
+void init_parallel(t_commrec* cr, t_inputrec* inputrec, gmx_mtop_t* mtop, PartialDeserializedTprFile* partialDeserializedTpr)
{
bc_tpxheader(cr, &partialDeserializedTpr->header);
bc_tprCharBuffer(cr, &partialDeserializedTpr->body);
if (!MASTER(cr))
{
- completeTprDeserialization(partialDeserializedTpr,
- inputrec,
- mtop);
+ completeTprDeserialization(partialDeserializedTpr, inputrec, mtop);
}
}