// TODO: Convert to use the nbnxm kernels by putting the system and the teset molecule on two separate search grids
void LegacySimulator::do_tpi()
{
- GMX_RELEASE_ASSERT(gmx_omp_nthreads_get(emntDefault) == 1, "TPI does not support OpenMP");
+ GMX_RELEASE_ASSERT(gmx_omp_nthreads_get(ModuleMultiThread::Default) == 1,
+ "TPI does not support OpenMP");
gmx_localtop_t top(top_global.ffparams);
gmx::ForceBuffers f;
double invbinw, *bin, refvolshift, logV, bUlogV;
gmx_bool bEnergyOutOfBounds;
const char* tpid_leg[2] = { "direct", "reweighted" };
- auto mdatoms = mdAtoms->mdatoms();
+ auto* mdatoms = mdAtoms->mdatoms();
GMX_UNUSED_VALUE(outputProvider);