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->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);
bc_cmap(cr,&mtop->cmap_grid);
}
/*! \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_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);
}