Making ComputeTempKokkos compatible with rmass in device memory. (a6df61a6) · Commits · 郑智淋 / lammps

src/KOKKOS/compute_temp_kokkos.cpp

+10 −6

Original line number	Diff line number	Diff line
		@@ -49,7 +49,9 @@ double ComputeTempKokkos<DeviceType>::compute_scalar()
		invoked_scalar = update->ntimestep;

		v = atomKK->k_v.view<DeviceType>();
		rmass = atomKK->rmass;
		if (atomKK->rmass)
		rmass = atomKK->k_rmass.view<DeviceType>();
		else
		mass = atomKK->k_mass.view<DeviceType>();
		type = atomKK->k_type.view<DeviceType>();
		mask = atomKK->k_mask.view<DeviceType>();
		@@ -59,7 +61,7 @@ double ComputeTempKokkos<DeviceType>::compute_scalar()
		CTEMP t_kk;

		copymode = 1;
		if (rmass)
		if (atomKK->rmass)
		Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagComputeTempScalar<1> >(0,nlocal),*this,t_kk);
		else
		Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagComputeTempScalar<0> >(0,nlocal),*this,t_kk);
		@@ -102,7 +104,9 @@ void ComputeTempKokkos<DeviceType>::compute_vector()
		invoked_vector = update->ntimestep;

		v = atomKK->k_v.view<DeviceType>();
		rmass = atomKK->rmass;
		if (atomKK->rmass)
		rmass = atomKK->k_rmass.view<DeviceType>();
		else
		mass = atomKK->k_mass.view<DeviceType>();
		type = atomKK->k_type.view<DeviceType>();
		mask = atomKK->k_mask.view<DeviceType>();
		@@ -113,7 +117,7 @@ void ComputeTempKokkos<DeviceType>::compute_vector()
		CTEMP t_kk;

		copymode = 1;
		if (rmass)
		if (atomKK->rmass)
		Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagComputeTempVector<1> >(0,nlocal),*this,t_kk);
		else
		Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagComputeTempVector<0> >(0,nlocal),*this,t_kk);

+1 −1

Original line number	Diff line number	Diff line
		@@ -84,7 +84,7 @@ class ComputeTempKokkos : public ComputeTemp {

		protected:
		typename ArrayTypes<DeviceType>::t_v_array_randomread v;
		double *rmass;
		typename ArrayTypes<DeviceType>::t_float_1d_randomread rmass;
		typename ArrayTypes<DeviceType>::t_float_1d_randomread mass;
		typename ArrayTypes<DeviceType>::t_int_1d_randomread type;
		typename ArrayTypes<DeviceType>::t_int_1d_randomread mask;