static void bc_moltype(const t_commrec *cr,t_symtab *symtab,
gmx_moltype_t *moltype)
{
bc_string(cr,symtab,&moltype->name);
bc_atoms(cr,symtab,&moltype->atoms);
if (debug) fprintf(debug,"after bc_atoms\n");
bc_ilists(cr,moltype->ilist);
bc_block(cr,&moltype->cgs);
bc_blocka(cr,&moltype->excls);
}
/*! \brief Broadcasts ir and mtop from the master to all nodes in
* cr->mpi_comm_mygroup. */
static
void bcast_ir_mtop(const t_commrec *cr, t_inputrec *inputrec, gmx_mtop_t *mtop)
{
int i;
if (debug)
{
fprintf(debug, "in bc_data\n");
}
bc_inputrec(cr, inputrec);
if (debug)
{
fprintf(debug, "after bc_inputrec\n");
}
bc_symtab(cr, &mtop->symtab);
if (debug)
{
fprintf(debug, "after bc_symtab\n");
}
bc_string(cr, &mtop->symtab, &mtop->name);
if (debug)
{
fprintf(debug, "after bc_name\n");
}
bc_ffparams(cr, &mtop->ffparams);
block_bc(cr, mtop->nmoltype);
snew_bc(cr, mtop->moltype, mtop->nmoltype);
for (i = 0; i < mtop->nmoltype; i++)
{
bc_moltype(cr, &mtop->symtab, &mtop->moltype[i]);
}
block_bc(cr, mtop->bIntermolecularInteractions);
if (mtop->bIntermolecularInteractions)
{
snew_bc(cr, mtop->intermolecular_ilist, F_NRE);
bc_ilists(cr, mtop->intermolecular_ilist);
}
block_bc(cr, mtop->nmolblock);
snew_bc(cr, mtop->molblock, mtop->nmolblock);
for (i = 0; i < mtop->nmolblock; i++)
{
bc_molblock(cr, &mtop->molblock[i]);
}
block_bc(cr, mtop->natoms);
bc_atomtypes(cr, &mtop->atomtypes);
bc_block(cr, &mtop->mols);
bc_groups(cr, &mtop->symtab, mtop->natoms, &mtop->groups);
}
static void bc_idef(const t_commrec *cr,t_idef *idef)
{
block_bc(cr,idef->ntypes);
block_bc(cr,idef->atnr);
snew_bc(cr,idef->functype,idef->ntypes);
snew_bc(cr,idef->iparams,idef->ntypes);
nblock_bc(cr,idef->ntypes,idef->functype);
nblock_bc(cr,idef->ntypes,idef->iparams);
block_bc(cr,idef->fudgeQQ);
bc_ilists(cr,idef->il);
block_bc(cr,idef->ilsort);
}
