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Commit 755ad80

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frostedoysterLuthaf
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Eliminate GPU references to class
1 parent 4a617da commit 755ad80

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+7
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src/KOKKOS/metatomic_system_kokkos.cpp

Lines changed: 7 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -192,21 +192,23 @@ void MetatomicSystemAdaptorKokkos<DeviceType>::setup_neighbors_kk(metatomic_torc
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processed_all_pairs.template modify<LMPHostType>();
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processed_all_pairs.template sync<LMPDeviceType>();
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auto d_numneigh = list->d_numneigh;
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auto d_ilist = list->d_ilist;
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auto d_neighbors = list->d_neighbors;
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Kokkos::parallel_for(
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Kokkos::MDRangePolicy<DeviceType, Kokkos::Rank<2>>(
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{0, 0},
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{list->inum + list->gnum, max_number_of_neighbors}
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),
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KOKKOS_LAMBDA(size_t ii, size_t jj) {
201-
if (jj >= list->d_numneigh[ii]) {
205+
if (jj >= d_numneigh[ii]) {
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return;
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}
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auto atom_i = list->d_ilist[ii];
208+
auto atom_i = d_ilist[ii];
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auto original_atom_i = d_original_id[atom_i];
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auto i_is_original = (atom_i == original_atom_i);
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auto atom_j = list->d_neighbors(ii, jj) & NEIGHMASK;
211+
auto atom_j = d_neighbors(ii, jj) & NEIGHMASK;
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auto original_atom_j = d_original_id[atom_j];
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auto j_is_original = (atom_j == original_atom_j);
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