forked from lijiext/lammps
Rename team option to neigh/thread
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149a57f3ae
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@ -184,8 +184,8 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
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binsize = 0.0;
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gpu_direct_flag = 1;
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team_flag = 0;
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team_flag_set = 0;
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neigh_thread = 0;
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neigh_thread_set = 0;
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neighflag_qeq_set = 0;
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if (ngpu > 0) {
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neighflag = FULL;
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@ -319,12 +319,12 @@ void KokkosLMP::accelerator(int narg, char **arg)
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else if (strcmp(arg[iarg+1],"on") == 0) gpu_direct_flag = 1;
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else error->all(FLERR,"Illegal package kokkos command");
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iarg += 2;
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} else if (strcmp(arg[iarg],"team") == 0) {
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} else if (strcmp(arg[iarg],"neigh/thread") == 0) {
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if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
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if (strcmp(arg[iarg+1],"off") == 0) team_flag = 0;
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else if (strcmp(arg[iarg+1],"on") == 0) team_flag = 1;
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if (strcmp(arg[iarg+1],"off") == 0) neigh_thread = 0;
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else if (strcmp(arg[iarg+1],"on") == 0) neigh_thread = 1;
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else error->all(FLERR,"Illegal package kokkos command");
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team_flag_set = 1;
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neigh_thread_set = 1;
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iarg += 2;
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} else error->all(FLERR,"Illegal package kokkos command");
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}
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@ -345,8 +345,8 @@ void KokkosLMP::accelerator(int narg, char **arg)
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force->newton = force->newton_pair = force->newton_bond = newtonflag;
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if (team_flag && neighflag != FULL)
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error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'team on'");
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if (neigh_thread && neighflag != FULL)
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error->all(FLERR,"Must use KOKKOS package option 'neigh full' with 'neigh/thread on'");
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neighbor->binsize_user = binsize;
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if (binsize <= 0.0) neighbor->binsizeflag = 0;
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@ -36,8 +36,8 @@ class KokkosLMP : protected Pointers {
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int numa;
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int auto_sync;
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int gpu_direct_flag;
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int team_flag;
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int team_flag_set;
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int neigh_thread;
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int neigh_thread_set;
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int newtonflag;
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double binsize;
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@ -89,8 +89,8 @@ U: Must use Kokkos half/thread or full neighbor list with threads or GPUs
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Using Kokkos half-neighbor lists with threading is not allowed.
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E: Must use KOKKOS package option 'neigh full' with 'team on'
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E: Must use KOKKOS package option 'neigh full' with 'neigh_thread on'
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The 'team on' option requires a full neighbor list
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The 'neigh_thread on' option requires a full neighbor list
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*/
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@ -867,11 +867,11 @@ template<class PairStyle, unsigned NEIGHFLAG, class Specialisation>
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EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename Kokkos::Impl::enable_if<(NEIGHFLAG&PairStyle::EnabledNeighFlags) != 0, NeighListKokkos<typename PairStyle::device_type>*>::type list) {
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EV_FLOAT ev;
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if (!fpair->lmp->kokkos->team_flag_set)
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if (!fpair->lmp->kokkos->neigh_thread_set)
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if (list->inum <= 16384)
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fpair->lmp->kokkos->team_flag = 1;
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fpair->lmp->kokkos->neigh_thread = 1;
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if (fpair->lmp->kokkos->team_flag) {
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if (fpair->lmp->kokkos->neigh_thread) {
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int vector_length = 8;
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int atoms_per_team = 32;
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