diff --git a/src/KOKKOS/pair_mliap_kokkos.cpp b/src/KOKKOS/pair_mliap_kokkos.cpp index 8c06e7983d..338afe4e42 100644 --- a/src/KOKKOS/pair_mliap_kokkos.cpp +++ b/src/KOKKOS/pair_mliap_kokkos.cpp @@ -57,6 +57,7 @@ PairMLIAPKokkos::~PairMLIAPKokkos() memoryKK->destroy_kokkos(k_setflag, setflag); memoryKK->destroy_kokkos(k_eatom, eatom); memoryKK->destroy_kokkos(k_vatom, vatom); + if (ghostneigh) memoryKK->destroy_kokkos(k_cutghost, cutghost); delete model; delete descriptor; model=nullptr; @@ -147,6 +148,7 @@ void PairMLIAPKokkos::allocate() memoryKK->create_kokkos(k_cutsq, cutsq, n+1, n+1, "pair_mliap:cutsq"); memoryKK->create_kokkos(k_setflag, setflag, n+1, n+1, "pair_mliap:setflag"); + if (ghostneigh) memoryKK->create_kokkos(k_cutghost, cutghost, n+1, n+1, "pair_mliap:cutghost"); // this is for the base class so it doesn't double delete allocated = 1; } diff --git a/src/KOKKOS/pair_mliap_kokkos.h b/src/KOKKOS/pair_mliap_kokkos.h index cbef6e5966..3f56a89692 100644 --- a/src/KOKKOS/pair_mliap_kokkos.h +++ b/src/KOKKOS/pair_mliap_kokkos.h @@ -108,6 +108,7 @@ public: typename AT::t_f_array f; DAT::tdual_int_1d k_map; DAT::tdual_double_2d k_cutsq; + DAT::tdual_double_2d k_cutghost; DAT::tdual_int_2d k_setflag; DAT::tdual_efloat_1d k_eatom; DAT::tdual_double_2d k_vatom;