fix crash in create_kokkos_tables (d059b5d3) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_table_kokkos.cpp

+52 −22

Original line number	Diff line number	Diff line
		@@ -52,8 +52,11 @@ PairTableKokkos<DeviceType>::PairTableKokkos(LAMMPS *lmp) : PairTable(lmp)
		template<class DeviceType>
		PairTableKokkos<DeviceType>::~PairTableKokkos()
		{
		if (copymode) return;
		delete h_table;
		h_table = nullptr;
		delete d_table;
		d_table = nullptr;
		copymode = true; //prevents base class destructor from running
		}

		@@ -306,34 +309,61 @@ void PairTableKokkos<DeviceType>::create_kokkos_tables()


		Kokkos::deep_copy(d_table->nshiftbits,h_table->nshiftbits);
		d_table_const.nshiftbits = d_table->nshiftbits;
		Kokkos::deep_copy(d_table->nmask,h_table->nmask);
		d_table_const.nmask = d_table->nmask;
		Kokkos::deep_copy(d_table->innersq,h_table->innersq);
		d_table_const.innersq = d_table->innersq;
		Kokkos::deep_copy(d_table->invdelta,h_table->invdelta);
		d_table_const.invdelta = d_table->invdelta;
		Kokkos::deep_copy(d_table->deltasq6,h_table->deltasq6);
		d_table_const.deltasq6 = d_table->deltasq6;

		if(tabstyle == LOOKUP) {
		Kokkos::deep_copy(d_table->e,h_table->e);
		d_table_const.e = d_table->e;
		Kokkos::deep_copy(d_table->f,h_table->f);
		d_table_const.f = d_table->f;
		}

		if(tabstyle == LINEAR) {
		Kokkos::deep_copy(d_table->rsq,h_table->rsq);
		Kokkos::deep_copy(d_table->drsq,h_table->drsq);
		d_table_const.rsq = d_table->rsq;
		Kokkos::deep_copy(d_table->e,h_table->e);
		Kokkos::deep_copy(d_table->de,h_table->de);
		d_table_const.e = d_table->e;
		Kokkos::deep_copy(d_table->f,h_table->f);
		d_table_const.f = d_table->f;
		Kokkos::deep_copy(d_table->de,h_table->de);
		Kokkos::deep_copy(d_table->df,h_table->df);
		Kokkos::deep_copy(d_table->e2,h_table->e2);
		Kokkos::deep_copy(d_table->f2,h_table->f2);
		Kokkos::deep_copy(d_table->tabindex,h_table->tabindex);
		}

		d_table_const.nshiftbits = d_table->nshiftbits;
		d_table_const.nmask = d_table->nmask;
		d_table_const.innersq = d_table->innersq;
		d_table_const.invdelta = d_table->invdelta;
		d_table_const.deltasq6 = d_table->deltasq6;
		if(tabstyle == SPLINE) {
		Kokkos::deep_copy(d_table->rsq,h_table->rsq);
		d_table_const.rsq = d_table->rsq;
		d_table_const.drsq = d_table->drsq;
		Kokkos::deep_copy(d_table->e,h_table->e);
		d_table_const.e = d_table->e;
		d_table_const.de = d_table->de;
		Kokkos::deep_copy(d_table->f,h_table->f);
		d_table_const.f = d_table->f;
		d_table_const.df = d_table->df;
		Kokkos::deep_copy(d_table->e2,h_table->e2);
		d_table_const.e2 = d_table->e2;
		Kokkos::deep_copy(d_table->f2,h_table->f2);
		d_table_const.f2 = d_table->f2;
		}

		if(tabstyle == BITMAP) {
		Kokkos::deep_copy(d_table->rsq,h_table->rsq);
		d_table_const.rsq = d_table->rsq;
		Kokkos::deep_copy(d_table->e,h_table->e);
		d_table_const.e = d_table->e;
		Kokkos::deep_copy(d_table->f,h_table->f);
		d_table_const.f = d_table->f;
		Kokkos::deep_copy(d_table->de,h_table->de);
		d_table_const.de = d_table->de;
		Kokkos::deep_copy(d_table->df,h_table->df);
		d_table_const.df = d_table->df;
		Kokkos::deep_copy(d_table->drsq,h_table->drsq);
		d_table_const.drsq = d_table->drsq;
		}

		Kokkos::deep_copy(d_table->cutsq,h_table->cutsq);
		update_table = 0;

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