static void bc_atoms(const t_commrec *cr, t_symtab *symtab, t_atoms *atoms)
{
block_bc(cr, atoms->nr);
snew_bc(cr, atoms->atom, atoms->nr);
nblock_bc(cr, atoms->nr, atoms->atom);
bc_strings(cr, symtab, atoms->nr, &atoms->atomname);
block_bc(cr, atoms->nres);
snew_bc(cr, atoms->resinfo, atoms->nres);
nblock_bc(cr, atoms->nres, atoms->resinfo);
bc_strings_resinfo(cr, symtab, atoms->nres, atoms->resinfo);
/* QMMM requires atomtypes to be known on all nodes as well */
bc_strings(cr, symtab, atoms->nr, &atoms->atomtype);
bc_strings(cr, symtab, atoms->nr, &atoms->atomtypeB);
}
static void bc_groups(const t_commrec *cr,t_symtab *symtab,
int natoms,gmx_groups_t *groups)
{
int dummy;
int g,n;
bc_grps(cr,groups->grps);
block_bc(cr,groups->ngrpname);
bc_strings(cr,symtab,groups->ngrpname,&groups->grpname);
for(g=0; g<egcNR; g++) {
if (MASTER(cr)) {
if (groups->grpnr[g]) {
n = natoms;
} else {
n = 0;
}
}
block_bc(cr,n);
if (n == 0) {
groups->grpnr[g] = NULL;
} else {
snew_bc(cr,groups->grpnr[g],n);
nblock_bc(cr,n,groups->grpnr[g]);
}
}
if (debug) fprintf(debug,"after bc_groups\n");
}
