diff --git a/src/KOKKOS/atom_kokkos.cpp b/src/KOKKOS/atom_kokkos.cpp index f9fa31bf2a..feca086911 100644 --- a/src/KOKKOS/atom_kokkos.cpp +++ b/src/KOKKOS/atom_kokkos.cpp @@ -358,18 +358,7 @@ void AtomKokkos::deallocate_topology() memoryKK->destroy_kokkos(k_improper_atom4, improper_atom4); } -/* ---------------------------------------------------------------------- - perform sync and modify for each of 2 masks - called by individual styles to override default sync/modify calls - done at higher levels (Verlet,Modify,etc) -------------------------------------------------------------------------- */ - -void AtomKokkos::sync_modify(ExecutionSpace execution_space, unsigned int datamask_read, - unsigned int datamask_modify) -{ - sync(execution_space, datamask_read); - modified(execution_space, datamask_modify); -} +/* ---------------------------------------------------------------------- */ AtomVec *AtomKokkos::new_avec(const std::string &style, int trysuffix, int &sflag) { diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h index d1bb41a7b8..955f5093cb 100644 --- a/src/KOKKOS/atom_kokkos.h +++ b/src/KOKKOS/atom_kokkos.h @@ -120,7 +120,6 @@ class AtomKokkos : public Atom { int add_custom(const char *, int, int) override; void remove_custom(int, int, int) override; virtual void deallocate_topology(); - void sync_modify(ExecutionSpace, unsigned int, unsigned int) override; private: void sort_device(); class AtomVec *new_avec(const std::string &, int, int &) override; diff --git a/src/KOKKOS/fix_minimize_kokkos.cpp b/src/KOKKOS/fix_minimize_kokkos.cpp index 90ef0f4525..e2106b3d03 100644 --- a/src/KOKKOS/fix_minimize_kokkos.cpp +++ b/src/KOKKOS/fix_minimize_kokkos.cpp @@ -28,7 +28,6 @@ FixMinimizeKokkos::FixMinimizeKokkos(LAMMPS *lmp, int narg, char **arg) : FixMinimize(lmp, narg, arg) { kokkosable = 1; - sort_device = 1; atomKK = (AtomKokkos *) atom; } @@ -219,21 +218,6 @@ void FixMinimizeKokkos::copy_arrays(int i, int j, int /*delflag*/) k_vectors.modify(); } -/* ---------------------------------------------------------------------- - sort local atom-based arrays -------------------------------------------------------------------------- */ - -void FixMinimizeKokkos::sort_kokkos(Kokkos::BinSort &Sorter) -{ - // always sort on the device - - k_vectors.sync_device(); - - Sorter.sort(LMPDeviceType(), k_vectors.d_view); - - k_vectors.modify_device(); -} - /* ---------------------------------------------------------------------- pack values in local atom-based arrays for exchange with another proc ------------------------------------------------------------------------- */ diff --git a/src/KOKKOS/fix_minimize_kokkos.h b/src/KOKKOS/fix_minimize_kokkos.h index 121711b4e4..5a7b06ba3d 100644 --- a/src/KOKKOS/fix_minimize_kokkos.h +++ b/src/KOKKOS/fix_minimize_kokkos.h @@ -39,7 +39,6 @@ class FixMinimizeKokkos : public FixMinimize, public KokkosBase { void grow_arrays(int) override; void copy_arrays(int, int, int) override; - void sort_kokkos(Kokkos::BinSort &Sorter) override; int pack_exchange(int, double *) override; int unpack_exchange(int, double *) override; diff --git a/src/atom.h b/src/atom.h index 810a2829ed..6c38254652 100644 --- a/src/atom.h +++ b/src/atom.h @@ -366,8 +366,6 @@ class Atom : protected Pointers { virtual int add_custom(const char *, int, int); virtual void remove_custom(int, int, int); - virtual void sync_modify(ExecutionSpace, unsigned int, unsigned int) {} - void *extract(const char *); int extract_datatype(const char *); diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp index 5c60fbab2d..953f503144 100644 --- a/src/fix_addforce.cpp +++ b/src/fix_addforce.cpp @@ -103,6 +103,11 @@ FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) : maxatom = 1; memory->create(sforce, maxatom, 4, "addforce:sforce"); + + // KOKKOS package + + datamask_read = X_MASK | F_MASK | IMAGE_MASK; + datamask_modify = F_MASK; } /* ---------------------------------------------------------------------- */ @@ -121,8 +126,6 @@ FixAddForce::~FixAddForce() int FixAddForce::setmask() { - datamask_read = datamask_modify = 0; - int mask = 0; mask |= POST_FORCE; mask |= POST_FORCE_RESPA; @@ -238,9 +241,6 @@ void FixAddForce::post_force(int vflag) v_init(vflag); - if (lmp->kokkos) - atom->sync_modify(Host, (unsigned int) (F_MASK | MASK_MASK), (unsigned int) F_MASK); - // update region if necessary if (region) region->prematch();