// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "npair_copy_kokkos.h" #include "neigh_list_kokkos.h" #include "my_page.h" #include "error.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ template NPairCopyKokkos::NPairCopyKokkos(LAMMPS *lmp) : NPair(lmp) {} /* ---------------------------------------------------------------------- create list which is simply a copy of parent list ------------------------------------------------------------------------- */ template void NPairCopyKokkos::build(NeighList *list) { NeighList *listcopy = list->listcopy; if (list->kokkos) { if (!listcopy->kokkos) error->all(FLERR,"Cannot copy non-Kokkos neighbor list to Kokkos neighbor list"); copy_to_kokkos(list); } else { if (!listcopy->kokkos) error->all(FLERR,"Missing Kokkos neighbor list for copy"); copy_to_cpu(list); } } /* ---------------------------------------------------------------------- */ template void NPairCopyKokkos::copy_to_kokkos(NeighList *list) { NeighList *listcopy = list->listcopy; list->inum = listcopy->inum; list->gnum = listcopy->gnum; list->ilist = listcopy->ilist; list->numneigh = listcopy->numneigh; list->ipage = listcopy->ipage; NeighListKokkos* list_kk = (NeighListKokkos*) list; NeighListKokkos* listcopy_kk = (NeighListKokkos*) list->listcopy; list_kk->d_ilist = listcopy_kk->d_ilist; list_kk->d_numneigh = listcopy_kk->d_numneigh; list_kk->d_neighbors = listcopy_kk->d_neighbors; list_kk->maxneighs = listcopy_kk->maxneighs; } /* ---------------------------------------------------------------------- */ template void NPairCopyKokkos::copy_to_cpu(NeighList *list) { NeighList *listcopy = list->listcopy; NeighListKokkos* listcopy_kk = (NeighListKokkos*) listcopy; listcopy_kk->k_ilist.template sync(); int inum = listcopy->inum; int gnum = listcopy->gnum; int inum_all = inum; if (list->ghost) inum_all += gnum; auto h_ilist = listcopy_kk->k_ilist.h_view; auto h_numneigh = Kokkos::create_mirror_view_and_copy(LMPHostType(),listcopy_kk->d_numneigh); auto h_neighbors = Kokkos::create_mirror_view_and_copy(LMPHostType(),listcopy_kk->d_neighbors); list->inum = inum; list->gnum = gnum; auto ilist = list->ilist; auto numneigh = list->numneigh; // Kokkos neighbor data is stored differently than regular CPU, // must copy element by element int *neighptr; int **firstneigh = list->firstneigh; MyPage *ipage = list->ipage; ipage->reset(); for (int ii = 0; ii < inum_all; ii++) { neighptr = ipage->vget(); const int i = h_ilist[ii]; ilist[ii] = i; // loop over Kokkos neighbor list const int jnum = h_numneigh[i]; numneigh[i] = jnum; for (int jj = 0; jj < jnum; jj++) { const int joriginal = h_neighbors(i,jj); neighptr[jj] = joriginal; } firstneigh[i] = neighptr; ipage->vgot(jnum); if (ipage->status()) error->one(FLERR,"Neighbor list overflow, boost neigh_modify one"); } } namespace LAMMPS_NS { template class NPairCopyKokkos; #ifdef LMP_KOKKOS_GPU template class NPairCopyKokkos; #endif }