Add pre_reverse to verlet_kokkos and comment out timer (44d2e8ff) · Commits · 郑智淋 / lammps

src/KOKKOS/verlet_kokkos.cpp

+9 −4

Original line number	Diff line number	Diff line
		@@ -294,6 +294,7 @@ void VerletKokkos::run(int n)
		int n_pre_exchange = modify->n_pre_exchange;
		int n_pre_neighbor = modify->n_pre_neighbor;
		int n_pre_force = modify->n_pre_force;
		int n_pre_reverse = modify->n_pre_reverse;
		int n_post_force = modify->n_post_force;
		int n_end_of_step = modify->n_end_of_step;

		@@ -304,9 +305,9 @@ void VerletKokkos::run(int n)

		f_merge_copy = DAT::t_f_array("VerletKokkos::f_merge_copy",atomKK->k_f.dimension_0());

		static double time = 0.0;
		atomKK->sync(Device,ALL_MASK);
		Kokkos::Impl::Timer ktimer;
		//static double time = 0.0;
		//Kokkos::Impl::Timer ktimer;

		timer->init_timeout();
		for (int i = 0; i < n; i++) {
		@@ -320,10 +321,10 @@ void VerletKokkos::run(int n)

		// initial time integration

		ktimer.reset();
		//ktimer.reset();
		timer->stamp();
		modify->initial_integrate(vflag);
		time += ktimer.seconds();
		//time += ktimer.seconds();
		if (n_post_integrate) modify->post_integrate();
		timer->stamp(Timer::MODIFY);

		@@ -523,6 +524,10 @@ void VerletKokkos::run(int n)
		atomKK->k_f.modify<LMPDeviceType>();
		}

		if (n_pre_reverse) {
		modify->pre_reverse(eflag,vflag);
		timer->stamp(Timer::MODIFY);
		}

		// reverse communication of forces