bool nonbondedOnGpu,
bool pmeOnGpu,
const t_inputrec* inputrec,
- const gmx_mtop_t* mtop,
+ const gmx_mtop_t& mtop,
const gmx::MDLogger& mdlog,
bool doMembed)
{
}
}
- if (mtop->natoms / nrank < min_atoms_per_mpi_rank)
+ if (mtop.natoms / nrank < min_atoms_per_mpi_rank)
{
int nrank_new;
/* the rank number was chosen automatically, but there are too few
atoms per rank, so we need to reduce the rank count */
- nrank_new = std::max(1, mtop->natoms / min_atoms_per_mpi_rank);
+ nrank_new = std::max(1, mtop.natoms / min_atoms_per_mpi_rank);
/* Avoid partial use of Hyper-Threading */
if (gmxSmtIsEnabled(hwTop) && nrank_new > nthreads_hw / 2 && nrank_new < nthreads_hw)