Merge pull request #841 from stanmoore1/compiler_warnings (fc3de22c) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_qeq_reax_kokkos.cpp

+1 −6

Original line number	Diff line number	Diff line
		@@ -214,8 +214,6 @@ void FixQEqReaxKokkos<DeviceType>::pre_force(int vflag)

		copymode = 1;

		int teamsize = TEAMSIZE;

		// allocate
		allocate_array();

		@@ -281,7 +279,6 @@ void FixQEqReaxKokkos<DeviceType>::num_neigh_item(int ii, int &maxneigh) const
		template<class DeviceType>
		void FixQEqReaxKokkos<DeviceType>::allocate_matrix()
		{
		int i,ii,m;
		const int inum = list->inum;

		nmax = atom->nmax;
		@@ -369,7 +366,7 @@ KOKKOS_INLINE_FUNCTION
		void FixQEqReaxKokkos<DeviceType>::compute_h_item(int ii, int &m_fill, const bool &final) const
		{
		const int i = d_ilist[ii];
		int j,jj,jtype,flag;
		int j,jj,jtype;

		if (mask[i] & groupbit) {

		@@ -471,7 +468,6 @@ void FixQEqReaxKokkos<DeviceType>::cg_solve1()
		// b = b_s, x = s;
		{
		const int inum = list->inum;
		const int ignum = inum + list->gnum;
		F_FLOAT tmp, sig_old, b_norm;

		const int teamsize = TEAMSIZE;
		@@ -602,7 +598,6 @@ void FixQEqReaxKokkos<DeviceType>::cg_solve2()
		// b = b_t, x = t;
		{
		const int inum = list->inum;
		const int ignum = inum + list->gnum;
		F_FLOAT tmp, sig_old, b_norm;

		const int teamsize = TEAMSIZE;

+1 −1

Original line number	Diff line number	Diff line
		@@ -3894,7 +3894,7 @@ void PairReaxCKokkos<DeviceType>::extract(const char str, int &dim)
		------------------------------------------------------------------------- */

		template<class DeviceType>
		void PairReaxCKokkos<DeviceType>::ev_setup(int eflag, int vflag)
		void PairReaxCKokkos<DeviceType>::ev_setup(int eflag, int vflag, int)
		{
		int i;

+1 −1

Original line number	Diff line number	Diff line
		@@ -135,7 +135,7 @@ class PairReaxCKokkos : public PairReaxC {
		PairReaxCKokkos(class LAMMPS *);
		virtual ~PairReaxCKokkos();

		void ev_setup(int, int);
		void ev_setup(int, int, int alloc = 1);
		void compute(int, int);
		void extract(const char , int &);
		void init_style();

+0 −1

Original line number	Diff line number	Diff line
		@@ -472,7 +472,6 @@ void PairSWKokkos<DeviceType>::operator()(TagPairSWComputeFullB<NEIGHFLAG,EVFLAG

		F_FLOAT delr1[3],delr2[3],fj[3],fk[3];
		F_FLOAT evdwl = 0.0;
		F_FLOAT fpair = 0.0;

		const int i = d_ilist[ii];

+6 −0

Original line number	Diff line number	Diff line
		@@ -112,9 +112,15 @@ class PairSWKokkos : public PairSW {
		t_param_1d d_params;

		virtual void setup_params();

		KOKKOS_INLINE_FUNCTION
		void twobody(const Param&, const F_FLOAT&, F_FLOAT&, const int&, F_FLOAT&) const;

		KOKKOS_INLINE_FUNCTION
		void threebody(const Param&, const Param&, const Param&, const F_FLOAT&, const F_FLOAT&, F_FLOAT , F_FLOAT ,
		F_FLOAT , F_FLOAT , const int&, F_FLOAT&) const;

		KOKKOS_INLINE_FUNCTION
		void threebodyj(const Param&, const Param&, const Param&, const F_FLOAT&, const F_FLOAT&, F_FLOAT , F_FLOAT ,
		F_FLOAT *) const;