Adding sync/modify to pair_multi_lucy_rx_kokkos (c617bc18) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp

+9 −5

Original line number	Diff line number	Diff line
		@@ -183,8 +183,6 @@ void PairMultiLucyRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in
		dvector = atomKK->k_dvector.view<DeviceType>();

		atomKK->sync(execution_space,X_MASK \| F_MASK \| TYPE_MASK \| ENERGY_MASK \| VIRIAL_MASK \| DPDRHO_MASK \| UCG_MASK \| UCGNEW_MASK \| DVECTOR_MASK);
		if (evflag) atomKK->modified(execution_space,F_MASK \| ENERGY_MASK \| VIRIAL_MASK \| UCG_MASK \| UCGNEW_MASK);
		else atomKK->modified(execution_space,F_MASK \| UCG_MASK \| UCGNEW_MASK);
		k_cutsq.template sync<DeviceType>();

		nlocal = atom->nlocal;
		@@ -231,6 +229,9 @@ void PairMultiLucyRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in
		}
		}

		if (evflag) atomKK->modified(execution_space,F_MASK \| ENERGY_MASK \| VIRIAL_MASK \| UCG_MASK \| UCGNEW_MASK);
		else atomKK->modified(execution_space,F_MASK \| UCG_MASK \| UCGNEW_MASK);

		k_error_flag.template modify<DeviceType>();
		k_error_flag.template sync<LMPHostType>();
		if (k_error_flag.h_view() == 1)
		@@ -454,7 +455,6 @@ void PairMultiLucyRXKokkos<DeviceType>::computeLocalDensity()
		nlocal = atom->nlocal;

		atomKK->sync(execution_space,X_MASK \| TYPE_MASK \| DPDRHO_MASK);
		atomKK->modified(execution_space,DPDRHO_MASK);

		const int inum = list->inum;
		NeighListKokkos<DeviceType>* k_list = static_cast<NeighListKokkos<DeviceType>*>(list);
		@@ -492,14 +492,14 @@ void PairMultiLucyRXKokkos<DeviceType>::computeLocalDensity()
		Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairMultiLucyRXComputeLocalDensity<HALFTHREAD,0> >(0,inum),*this);
		}

		atomKK->modified(execution_space,DPDRHO_MASK);

		// communicate and sum densities (on the host)

		if (newton_pair) {
		atomKK->modified(execution_space,DPDRHO_MASK);
		atomKK->sync(Host,DPDRHO_MASK);
		comm->reverse_comm_pair(this);
		atomKK->modified(Host,DPDRHO_MASK);
		atomKK->sync(execution_space,DPDRHO_MASK);
		}

		comm->forward_comm_pair(this);
		@@ -687,6 +687,8 @@ int PairMultiLucyRXKokkos<DeviceType>::pack_forward_comm(int n, int *list, doubl
		{
		int i,j,m;

		atomKK->sync(Host,DPDRHO_MASK);

		m = 0;
		for (i = 0; i < n; i++) {
		j = list[i];
		@@ -705,6 +707,8 @@ void PairMultiLucyRXKokkos<DeviceType>::unpack_forward_comm(int n, int first, do
		m = 0;
		last = first + n;
		for (i = first; i < last; i++) h_rho[i] = buf[m++];

		atomKK->modified(Host,DPDRHO_MASK);
		}

		/* ---------------------------------------------------------------------- */

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