Only copy force on ghost atoms if newton on (8c4baac3) · Commits · 郑智淋 / lammps

src/KOKKOS/atom_vec_atomic_kokkos.cpp

+17 −2

Changes for src/KOKKOS/atom_vec_atomic_kokkos.cpp: 17 added lines, 2 removed lines.
Original line number	Diff line number	Diff line
		@@ -21,6 +21,7 @@
		#include "atom_masks.h"
		#include "memory_kokkos.h"
		#include "error.h"
		#include "force.h"

		using namespace LAMMPS_NS;

		@@ -901,7 +902,14 @@ void AtomVecAtomicKokkos::sync(ExecutionSpace space, unsigned int mask)
		if (space == Device) {
		if (mask & X_MASK) atomKK->k_x.sync<LMPDeviceType>();
		if (mask & V_MASK) atomKK->k_v.sync<LMPDeviceType>();
		if (mask & F_MASK) atomKK->k_f.sync<LMPDeviceType>();
		if (mask & F_MASK) {
		if (!force \|\| force->newton) {
		atomKK->k_f.sync<LMPDeviceType>();
		} else {
		auto k_f_nlocal = Kokkos::subview(atomKK->k_f,std::make_pair(0,atom->nlocal),Kokkos::ALL);
		k_f_nlocal.sync<LMPDeviceType>();
		}
		}
		if (mask & TAG_MASK) atomKK->k_tag.sync<LMPDeviceType>();
		if (mask & TYPE_MASK) atomKK->k_type.sync<LMPDeviceType>();
		if (mask & MASK_MASK) atomKK->k_mask.sync<LMPDeviceType>();
		@@ -909,7 +917,14 @@ void AtomVecAtomicKokkos::sync(ExecutionSpace space, unsigned int mask)
		} else {
		if (mask & X_MASK) atomKK->k_x.sync<LMPHostType>();
		if (mask & V_MASK) atomKK->k_v.sync<LMPHostType>();
		if (mask & F_MASK) atomKK->k_f.sync<LMPHostType>();
		if (mask & F_MASK) {
		if (!force \|\| force->newton) {
		atomKK->k_f.sync<LMPHostType>();
		} else {
		auto k_f_nlocal = Kokkos::subview(atomKK->k_f,std::make_pair(0,atom->nlocal),Kokkos::ALL);
		k_f_nlocal.sync<LMPHostType>();
		}
		}
		if (mask & TAG_MASK) atomKK->k_tag.sync<LMPHostType>();
		if (mask & TYPE_MASK) atomKK->k_type.sync<LMPHostType>();
		if (mask & MASK_MASK) atomKK->k_mask.sync<LMPHostType>();