diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 49e1313c26bee26a50084fbba7eeacee61d29c8b..e198ddb85a9fa0072e0f0bc1aea58a7cf93a9e21 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -165,6 +165,9 @@ void PairEAMAlloyKokkos<DeviceType>::compute(int eflag_in, int vflag_in) } } + if (need_dup) + Kokkos::Experimental::contribute(d_rho, dup_rho); + // communicate and sum densities (on the host) if (newton_pair) { diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index ee0a79982634e30b5e276b63a189a2cc760c418b..f5e4445db3a2f7854ae2609e7dce414d9f586fcd 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -165,6 +165,9 @@ void PairEAMFSKokkos<DeviceType>::compute(int eflag_in, int vflag_in) } } + if (need_dup) + Kokkos::Experimental::contribute(d_rho, dup_rho); + // communicate and sum densities (on the host) if (newton_pair) { diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index a1431334b47ba07a25d59e9225516c741158f286..6ef3d99ac3934783c9ed4887db6c81bd37aba9d0 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -159,6 +159,9 @@ void PairEAMKokkos<DeviceType>::compute(int eflag_in, int vflag_in) } } + if (need_dup) + Kokkos::Experimental::contribute(d_rho, dup_rho); + // communicate and sum densities (on the host) if (newton_pair) {