From d81bf66fe1f33cde34437677beaebd4333d02244 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Mon, 29 Jul 2024 09:29:40 -0600 Subject: [PATCH] Fix issues with new KOKKOS hybrid topo styles --- src/KOKKOS/dihedral_hybrid_kokkos.h | 12 ++++++------ src/KOKKOS/improper_hybrid_kokkos.h | 6 +++--- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/src/KOKKOS/dihedral_hybrid_kokkos.h b/src/KOKKOS/dihedral_hybrid_kokkos.h index 29a3d29689..6deb190f8f 100644 --- a/src/KOKKOS/dihedral_hybrid_kokkos.h +++ b/src/KOKKOS/dihedral_hybrid_kokkos.h @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifdef BOND_CLASS +#ifdef DIHEDRAL_CLASS // clang-format off DihedralStyle(hybrid/kk,DihedralHybridKokkos); DihedralStyle(hybrid/kk/device,DihedralHybridKokkos); @@ -20,8 +20,8 @@ DihedralStyle(hybrid/kk/host,DihedralHybridKokkos); #else // clang-format off -#ifndef LMP_BOND_HYBRID_KOKKOS_H -#define LMP_BOND_HYBRID_KOKKOS_H +#ifndef LMP_DIHEDRAL_HYBRID_KOKKOS_H +#define LMP_DIHEDRAL_HYBRID_KOKKOS_H #include "dihedral_hybrid.h" #include "kokkos_type.h" @@ -40,13 +40,13 @@ class DihedralHybridKokkos : public DihedralHybrid { double memory_usage() override; private: - int maxbond_all; + int maxdihedral_all; class NeighborKokkos *neighborKK; DAT::tdual_int_1d k_map; // which style each bond type points to - DAT::tdual_int_1d k_nbondlist; // # of bonds in sub-style bondlists - DAT::tdual_int_3d k_bondlist; // bondlist for each sub-style + DAT::tdual_int_1d k_ndihedrallist; // # of bonds in sub-style bondlists + DAT::tdual_int_3d k_dihedrallist; // bondlist for each sub-style void allocate() override; void deallocate() override; diff --git a/src/KOKKOS/improper_hybrid_kokkos.h b/src/KOKKOS/improper_hybrid_kokkos.h index f2a80f6a0c..78bafe5df6 100644 --- a/src/KOKKOS/improper_hybrid_kokkos.h +++ b/src/KOKKOS/improper_hybrid_kokkos.h @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifdef BOND_CLASS +#ifdef IMPROPER_CLASS // clang-format off ImproperStyle(hybrid/kk,ImproperHybridKokkos); ImproperStyle(hybrid/kk/device,ImproperHybridKokkos); @@ -20,8 +20,8 @@ ImproperStyle(hybrid/kk/host,ImproperHybridKokkos); #else // clang-format off -#ifndef LMP_BOND_HYBRID_KOKKOS_H -#define LMP_BOND_HYBRID_KOKKOS_H +#ifndef LMP_IMPROPER_HYBRID_KOKKOS_H +#define LMP_IMPROPER_HYBRID_KOKKOS_H #include "improper_hybrid.h" #include "kokkos_type.h"