Workaround for GCC internal compiler error (c7bccc5e) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_snap_kokkos_impl.h

+10 −10

Original line number	Original line	Diff line number	Diff line
	@@ -332,7 +332,7 @@ KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPBeta,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBeta>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPBeta,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPBeta>::member_type& team) const {

	// TODO: use RangePolicy instead, or thread over ncoeff?		// TODO: use RangePolicy instead, or thread over ncoeff?
	const int ii = team.league_rank();		int ii = team.league_rank();
	const int i = d_ilist[ii + chunk_offset];		const int i = d_ilist[ii + chunk_offset];
	const int itype = type[i];		const int itype = type[i];
	const int ielem = d_map[itype];		const int ielem = d_map[itype];
	@@ -437,7 +437,7 @@ template<class DeviceType>
	KOKKOS_INLINE_FUNCTION		KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeNeigh,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeNeigh>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeNeigh,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeNeigh>::member_type& team) const {

	const int ii = team.league_rank();		int ii = team.league_rank();
	const int i = d_ilist[ii + chunk_offset];		const int i = d_ilist[ii + chunk_offset];
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	const double xtmp = x(i,0);		const double xtmp = x(i,0);
	@@ -505,7 +505,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeNeigh,const typen
	template<class DeviceType>		template<class DeviceType>
	KOKKOS_INLINE_FUNCTION		KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPPreUi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPPreUi>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPPreUi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPPreUi>::member_type& team) const {
	const int ii = team.league_rank();		int ii = team.league_rank();
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	my_sna.pre_ui(team,ii);		my_sna.pre_ui(team,ii);
	}		}
	@@ -516,7 +516,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeUi,const typename
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;

	// Extract the atom number		// Extract the atom number
	const int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));		int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));
	if (ii >= inum) return;		if (ii >= inum) return;

	// Extract the neighbor number		// Extract the neighbor number
	@@ -530,7 +530,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeUi,const typename
	template<class DeviceType>		template<class DeviceType>
	KOKKOS_INLINE_FUNCTION		KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeYi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeYi>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeYi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeYi>::member_type& team) const {
	const int ii = team.league_rank();		int ii = team.league_rank();
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	my_sna.compute_yi(team,ii,d_beta);		my_sna.compute_yi(team,ii,d_beta);
	}		}
	@@ -538,7 +538,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeYi,const typename
	template<class DeviceType>		template<class DeviceType>
	KOKKOS_INLINE_FUNCTION		KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeZi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeZi>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeZi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeZi>::member_type& team) const {
	const int ii = team.league_rank();		int ii = team.league_rank();
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	my_sna.compute_zi(team,ii);		my_sna.compute_zi(team,ii);
	}		}
	@@ -546,7 +546,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeZi,const typename
	template<class DeviceType>		template<class DeviceType>
	KOKKOS_INLINE_FUNCTION		KOKKOS_INLINE_FUNCTION
	void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeBi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeBi>::member_type& team) const {		void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeBi,const typename Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeBi>::member_type& team) const {
	const int ii = team.league_rank();		int ii = team.league_rank();
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	my_sna.compute_bi(team,ii);		my_sna.compute_bi(team,ii);
	}		}
	@@ -557,7 +557,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeDuidrj,const type
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;

	// Extract the atom number		// Extract the atom number
	const int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));		int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));
	if (ii >= inum) return;		if (ii >= inum) return;

	// Extract the neighbor number		// Extract the neighbor number
	@@ -574,7 +574,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeDeidrj,const type
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;

	// Extract the atom number		// Extract the atom number
	const int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));		int ii = team.team_rank() + team.team_size() * (team.league_rank() % ((inum+team.team_size()-1)/team.team_size()));
	if (ii >= inum) return;		if (ii >= inum) return;

	// Extract the neighbor number		// Extract the neighbor number
	@@ -595,7 +595,7 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPComputeForce<NEIGHFLAG,E
	auto v_f = ScatterViewHelper<NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f);		auto v_f = ScatterViewHelper<NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f);
	auto a_f = v_f.template access<AtomicDup<NEIGHFLAG,DeviceType>::value>();		auto a_f = v_f.template access<AtomicDup<NEIGHFLAG,DeviceType>::value>();

	const int ii = team.league_rank();		int ii = team.league_rank();
	const int i = d_ilist[ii + chunk_offset];		const int i = d_ilist[ii + chunk_offset];
	SNAKokkos<DeviceType> my_sna = snaKK;		SNAKokkos<DeviceType> my_sna = snaKK;
	const int ninside = d_ninside(ii);		const int ninside = d_ninside(ii);

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