From 20000a5e6281fbc54a17a549d870a66fbfebf17c Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 21 Oct 2020 14:07:46 -0600 Subject: [PATCH] Kokkos EAM tweaks for V100 --- src/KOKKOS/pair_eam_kokkos.cpp | 14 +++++++------- src/KOKKOS/pair_eam_kokkos.h | 24 ++++++++++++------------ 2 files changed, 19 insertions(+), 19 deletions(-) diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index fc3a264199..96e6e947e5 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -326,19 +326,19 @@ void PairEAMKokkos::file2array() int i,j; int n = atom->ntypes; - DAT::tdual_int_1d k_type2frho = DAT::tdual_int_1d("pair:type2frho",n+1); - DAT::tdual_int_2d k_type2rhor = DAT::tdual_int_2d("pair:type2rhor",n+1,n+1); - DAT::tdual_int_2d k_type2z2r = DAT::tdual_int_2d("pair:type2z2r",n+1,n+1); + auto k_type2frho = DAT::tdual_int_1d("pair:type2frho",n+1); + auto k_type2rhor = DAT::tdual_int_2d_dl("pair:type2rhor",n+1,n+1); + auto k_type2z2r = DAT::tdual_int_2d_dl("pair:type2z2r",n+1,n+1); - HAT::t_int_1d h_type2frho = k_type2frho.h_view; - HAT::t_int_2d h_type2rhor = k_type2rhor.h_view; - HAT::t_int_2d h_type2z2r = k_type2z2r.h_view; + auto h_type2frho = k_type2frho.h_view; + auto h_type2rhor = k_type2rhor.h_view; + auto h_type2z2r = k_type2z2r.h_view; for (i = 1; i <= n; i++) { h_type2frho[i] = type2frho[i]; for (j = 1; j <= n; j++) { h_type2rhor(i,j) = type2rhor[i][j]; - h_type2z2r(i,j)= type2z2r[i][j]; + h_type2z2r(i,j) = type2z2r[i][j]; } } k_type2frho.template modify(); diff --git a/src/KOKKOS/pair_eam_kokkos.h b/src/KOKKOS/pair_eam_kokkos.h index 99719bbe5a..982b248af1 100644 --- a/src/KOKKOS/pair_eam_kokkos.h +++ b/src/KOKKOS/pair_eam_kokkos.h @@ -115,9 +115,9 @@ class PairEAMKokkos : public PairEAM, public KokkosBase { protected: void cleanup_copy(); - typename AT::t_x_array_randomread x; + typename AT::t_x_array x; typename AT::t_f_array f; - typename AT::t_int_1d_randomread type; + typename AT::t_int_1d type; typename AT::t_tagint_1d tag; DAT::tdual_efloat_1d k_eatom; @@ -142,25 +142,25 @@ class PairEAMKokkos : public PairEAM, public KokkosBase { HAT::t_ffloat_1d h_rho; HAT::t_ffloat_1d h_fp; - typename AT::t_int_1d_randomread d_type2frho; - typename AT::t_int_2d_randomread d_type2rhor; - typename AT::t_int_2d_randomread d_type2z2r; + typename AT::t_int_1d d_type2frho; + typename AT::t_int_2d_dl d_type2rhor; + typename AT::t_int_2d_dl d_type2z2r; - typedef Kokkos::DualView tdual_ffloat_2d_n7; - typedef typename tdual_ffloat_2d_n7::t_dev_const_randomread t_ffloat_2d_n7_randomread; + typedef Kokkos::DualView tdual_ffloat_2d_n7; + typedef typename tdual_ffloat_2d_n7::t_dev_const t_ffloat_2d_n7; typedef typename tdual_ffloat_2d_n7::t_host t_host_ffloat_2d_n7; - t_ffloat_2d_n7_randomread d_frho_spline; - t_ffloat_2d_n7_randomread d_rhor_spline; - t_ffloat_2d_n7_randomread d_z2r_spline; + t_ffloat_2d_n7 d_frho_spline; + t_ffloat_2d_n7 d_rhor_spline; + t_ffloat_2d_n7 d_z2r_spline; void interpolate(int, double, double *, t_host_ffloat_2d_n7, int); void file2array(); void array2spline(); typename AT::t_neighbors_2d d_neighbors; - typename AT::t_int_1d_randomread d_ilist; - typename AT::t_int_1d_randomread d_numneigh; + typename AT::t_int_1d d_ilist; + typename AT::t_int_1d d_numneigh; //NeighListKokkos k_list; int iswap;