(298e62ae) · Commits · 郑智淋 / lammps

src/KOKKOS/nbin_kokkos.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -76,8 +76,6 @@ void NBinKokkos<DeviceType>::bin_atoms_setup(int nall)
		bincount = k_bincount.view<DeviceType>();
		last_bin_memory = update->ntimestep;
		}

		last_bin = update->ntimestep;
		}

		/* ----------------------------------------------------------------------
		@@ -87,6 +85,8 @@ void NBinKokkos<DeviceType>::bin_atoms_setup(int nall)
		template<class DeviceType>
		void NBinKokkos<DeviceType>::bin_atoms()
		{
		last_bin = update->ntimestep;

		h_resize() = 1;

		while(h_resize() > 0) {

+4 −1

Original line number	Diff line number	Diff line
		@@ -59,6 +59,8 @@ void NBinSSA::bin_atoms()
		int *mask = atom->mask;
		int *ssaAIR = atom->ssaAIR;

		last_bin = update->ntimestep;

		for (i = 0; i < mbins; i++) {
		gbinhead_ssa[i] = -1;
		binhead_ssa[i] = -1;
		@@ -104,12 +106,14 @@ void NBinSSA::bin_atoms_setup(int nall)
		memory->destroy(binhead_ssa);
		memory->create(binhead_ssa,maxhead_ssa,"binhead_ssa");
		memory->create(gbinhead_ssa,maxhead_ssa,"gbinhead_ssa");
		last_bin_memory = update->ntimestep;
		}

		if (nall > maxbin_ssa) {
		maxbin_ssa = nall;
		memory->destroy(bins_ssa);
		memory->create(bins_ssa,maxbin_ssa,"bins_ssa");
		last_bin_memory = update->ntimestep;
		}
		}

		@@ -126,4 +130,3 @@ bigint NBinSSA::memory_usage()
		}
		return bytes;
		}

+2 −2

Original line number	Diff line number	Diff line
		@@ -130,8 +130,6 @@ void NBinIntel::bin_atoms_setup(int nall)

		last_bin_memory = update->ntimestep;
		}

		last_bin = update->ntimestep;
		}

		/* ----------------------------------------------------------------------
		@@ -140,6 +138,8 @@ void NBinIntel::bin_atoms_setup(int nall)

		void NBinIntel::bin_atoms()
		{
		last_bin = update->ntimestep;

		if (_precision_mode == FixIntel::PREC_MODE_MIXED)
		bin_atoms(_fix->get_mixed_buffers());
		else if (_precision_mode == FixIntel::PREC_MODE_SINGLE)

+1 −0

Original line number	Diff line number	Diff line
		@@ -197,6 +197,7 @@ void NBinStandard::bin_atoms()
		{
		int i,ibin;

		last_bin = update->ntimestep;
		for (i = 0; i < mbins; i++) binhead[i] = -1;

		// bin in reverse order so linked list will be in forward order