GMX_RELEASE_ASSERT(ir->rcoulomb == ir->rvdw, "With Verlet lists and no PME rcoulomb and rvdw should be identical");
}
- init_nb_verlet(mdlog, &fr->nbv, bFEP_NonBonded, ir, fr,
- cr, hardwareInfo, deviceInfo,
- mtop, box);
+ Nbnxm::init_nb_verlet(mdlog, &fr->nbv, bFEP_NonBonded, ir, fr,
+ cr, hardwareInfo, deviceInfo,
+ mtop, box);
if (useGpuForBonded)
{
auto stream = DOMAINDECOMP(cr) ?
- nbnxn_gpu_get_command_stream(fr->nbv->gpu_nbv, eintNonlocal) :
- nbnxn_gpu_get_command_stream(fr->nbv->gpu_nbv, eintLocal);
+ Nbnxm::gpu_get_command_stream(fr->nbv->gpu_nbv, Nbnxm::InteractionLocality::NonLocal) :
+ Nbnxm::gpu_get_command_stream(fr->nbv->gpu_nbv, Nbnxm::InteractionLocality::Local);
// TODO the heap allocation is only needed while
// t_forcerec lacks a constructor.
fr->gpuBonded = new gmx::GpuBonded(mtop->ffparams,
if (isPPrankUsingGPU)
{
/* free nbnxn data in GPU memory */
- nbnxn_gpu_free(fr->nbv->gpu_nbv);
+ Nbnxm::gpu_free(fr->nbv->gpu_nbv);
delete fr->gpuBonded;
fr->gpuBonded = nullptr;
}