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WIP: Add duplicated memory to force_lj #21

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WIP: Add duplicated memory to force_lj #21

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1955d31
Add duplicated memory to force_lj
stanmoore1 Dec 8, 2017
a77a1b9
Rename ReductionView to ScatterView
stanmoore1 Dec 8, 2017
652c168
Merge branch 'bugfix' into duplicated_f
stanmoore1 Feb 5, 2018
c02d8ae
Merge branch 'master' into duplicated_f
stanmoore1 Aug 15, 2018
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1 change: 1 addition & 0 deletions src/force_types/force_lj_neigh.h
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Original file line number Diff line number Diff line change
Expand Up @@ -69,6 +69,7 @@ class ForceLJNeigh: public Force {
t_x_const_rnd x;
t_f f;
t_f_atomic f_a;
t_f_duplicated f_r;
t_id id;
t_type_const_rnd type;
Binning::t_bincount bin_count;
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12 changes: 9 additions & 3 deletions src/force_types/force_lj_neigh_impl.h
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Expand Up @@ -106,7 +106,8 @@ void ForceLJNeigh<NeighborClass>::compute(System* system, Binning* binning, Neig
N_local = system->N_local;
x = system->x;
f = system->f;
f_a = system->f;
//f_a = system->f;
f_r = Kokkos::Experimental::create_scatter_view<>(system->f);
type = system->type;
id = system->id;
if (use_stackparams) {
Expand All @@ -122,6 +123,11 @@ void ForceLJNeigh<NeighborClass>::compute(System* system, Binning* binning, Neig
}
Kokkos::fence();

if(half_neigh) {
Kokkos::Experimental::contribute(system->f, f_r);
f_r = decltype(f_r)();
}

step++;
}

Expand All @@ -133,8 +139,6 @@ T_V_FLOAT ForceLJNeigh<NeighborClass>::compute_energy(System* system, Binning* b

N_local = system->N_local;
x = system->x;
f = system->f;
f_a = system->f;
type = system->type;
id = system->id;
T_V_FLOAT energy;
Expand Down Expand Up @@ -209,6 +213,8 @@ template<class NeighborClass>
template<bool STACKPARAMS>
KOKKOS_INLINE_FUNCTION
void ForceLJNeigh<NeighborClass>::operator() (TagHalfNeigh<STACKPARAMS>, const T_INT& i) const {
auto f_a = f_r.access();

const T_F_FLOAT x_i = x(i,0);
const T_F_FLOAT y_i = x(i,1);
const T_F_FLOAT z_i = x(i,2);
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2 changes: 2 additions & 0 deletions src/types.h
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Expand Up @@ -39,6 +39,7 @@
#ifndef TYPES_H
#define TYPES_H
#include<Kokkos_Core.hpp>
#include<Kokkos_ScatterView.hpp>

// Module Types etc
// Units to be used
Expand Down Expand Up @@ -98,6 +99,7 @@ typedef Kokkos::View<T_F_FLOAT*[3],
Kokkos::MemoryTraits<Kokkos::Atomic>>
#endif
t_f_atomic; // Force
typedef Kokkos::Experimental::ScatterView<T_F_FLOAT*[3]> t_f_duplicated; // Force
typedef Kokkos::View<const T_F_FLOAT*[3]> t_f_const; // Force

typedef Kokkos::View<int*> t_type; // Type (int is enough as type)
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