fix memory leaks in pair_tabl_rx_kokkos (fe82926c) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_table_rx_kokkos.cpp

+14 −5

Original line number	Diff line number	Diff line
		@@ -147,6 +147,9 @@ PairTableRXKokkos<DeviceType>::PairTableRXKokkos(LAMMPS *lmp) : PairTable(lmp)
		h_table = new TableHost();
		d_table = new TableDevice();
		fractionalWeighting = true;

		site1 = nullptr;
		site2 = nullptr;
		}

		/* ---------------------------------------------------------------------- */
		@@ -156,14 +159,21 @@ PairTableRXKokkos<DeviceType>::~PairTableRXKokkos()
		{
		if (copymode) return;

		delete [] site1;
		delete [] site2;

		memory->destroy_kokkos(k_eatom,eatom);
		memory->destroy_kokkos(k_vatom,vatom);

		if (allocated) {
		memory->destroy_kokkos(d_table->cutsq, cutsq);
		memory->destroy_kokkos(d_table->tabindex, tabindex);
		}

		delete h_table;
		h_table = nullptr;
		delete d_table;
		d_table = nullptr;
		copymode = true; //prevents base class destructor from running
		}

		/* ---------------------------------------------------------------------- */
		@@ -981,6 +991,8 @@ void PairTableRXKokkos<DeviceType>::settings(int narg, char **arg)

		for (int m = 0; m < ntables; m++) free_table(&tables[m]);
		memory->sfree(tables);
		ntables = 0;
		tables = NULL;

		if (allocated) {
		memory->destroy(setflag);
		@@ -990,11 +1002,8 @@ void PairTableRXKokkos<DeviceType>::settings(int narg, char **arg)

		d_table_const.cutsq = d_table->cutsq = typename ArrayTypes<DeviceType>::t_ffloat_2d();
		h_table->cutsq = typename ArrayTypes<LMPHostType>::t_ffloat_2d();
		}
		allocated = 0;

		ntables = 0;
		tables = NULL;
		}
		}

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

+10 −0

Original line number	Diff line number	Diff line
		@@ -47,6 +47,16 @@ enum{NONE,RLINEAR,RSQ,BMP};
		PairTableRX::PairTableRX(LAMMPS *lmp) : PairTable(lmp)
		{
		fractionalWeighting = true;
		site1 = NULL;
		site2 = NULL;
		}

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

		PairTableRX::~PairTableRX()
		{
		delete [] site1;
		delete [] site2;
		}

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

+1 −1

Original line number	Diff line number	Diff line
		@@ -27,7 +27,7 @@ namespace LAMMPS_NS {
		class PairTableRX : public PairTable {
		public:
		PairTableRX(class LAMMPS *);
		virtual ~PairTableRX() {}
		virtual ~PairTableRX();

		virtual void compute(int, int);
		void settings(int, char **);