diff --git a/src/KOKKOS/pair_reax_c_kokkos.cpp b/src/KOKKOS/pair_reax_c_kokkos.cpp index 9e0f06ef30b080d00c1289739778ef68cc7a7e5a..eba6fbb0b5a14abbe205992969b477cd3a997a33 100644 --- a/src/KOKKOS/pair_reax_c_kokkos.cpp +++ b/src/KOKKOS/pair_reax_c_kokkos.cpp @@ -3878,14 +3878,16 @@ void PairReaxCKokkos<DeviceType>::ev_setup(int eflag, int vflag) // reallocate per-atom arrays if necessary if (eflag_atom && atom->nmax > maxeatom) { - memory->destroy_kokkos(k_eatom,eatom); - memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); - v_eatom = k_eatom.view<DeviceType>(); + maxeatom = atom->nmax; + memory->destroy_kokkos(k_eatom,eatom); + memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); + v_eatom = k_eatom.view<DeviceType>(); } if (vflag_atom && atom->nmax > maxvatom) { - memory->destroy_kokkos(k_vatom,vatom); - memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); - v_vatom = k_vatom.view<DeviceType>(); + maxvatom = atom->nmax; + memory->destroy_kokkos(k_vatom,vatom); + memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom"); + v_vatom = k_vatom.view<DeviceType>(); } // zero accumulators