Fixing GPU memory issue in domain_kokkos (73177d65) · Commits · 郑智淋 / lammps

src/KOKKOS/domain_kokkos.cpp

+8 −4

Original line number	Diff line number	Diff line
		@@ -402,7 +402,6 @@ void DomainKokkos::pbc()
		void DomainKokkos::remap_all()
		{
		atomKK->sync(Device,X_MASK \| IMAGE_MASK);
		atomKK->modified(Device,X_MASK \| IMAGE_MASK);

		x = atomKK->k_x.view<LMPDeviceType>();
		image = atomKK->k_image.view<LMPDeviceType>();
		@@ -428,6 +427,8 @@ void DomainKokkos::remap_all()
		LMPDeviceType::fence();
		copymode = 0;

		atomKK->modified(Device,X_MASK \| IMAGE_MASK);

		if (triclinic) lamda2x(nlocal);
		}

		@@ -521,7 +522,6 @@ void DomainKokkos::image_flip(int m_in, int n_in, int p_in)
		p_flip = p_in;

		atomKK->sync(Device,IMAGE_MASK);
		atomKK->modified(Device,IMAGE_MASK);

		image = atomKK->k_image.view<LMPDeviceType>();
		int nlocal = atomKK->nlocal;
		@@ -530,6 +530,8 @@ void DomainKokkos::image_flip(int m_in, int n_in, int p_in)
		Kokkos::parallel_for(Kokkos::RangePolicy<LMPDeviceType, TagDomain_image_flip>(0,nlocal),*this);
		LMPDeviceType::fence();
		copymode = 0;

		atomKK->modified(Device,IMAGE_MASK);
		}

		KOKKOS_INLINE_FUNCTION
		@@ -554,7 +556,6 @@ void DomainKokkos::operator()(TagDomain_image_flip, const int &i) const {
		void DomainKokkos::lamda2x(int n)
		{
		atomKK->sync(Device,X_MASK);
		atomKK->modified(Device,X_MASK);

		x = atomKK->k_x.view<LMPDeviceType>();

		@@ -562,6 +563,8 @@ void DomainKokkos::lamda2x(int n)
		Kokkos::parallel_for(Kokkos::RangePolicy<LMPDeviceType, TagDomain_lamda2x>(0,n),*this);
		LMPDeviceType::fence();
		copymode = 0;

		atomKK->modified(Device,X_MASK);
		}

		KOKKOS_INLINE_FUNCTION
		@@ -579,7 +582,6 @@ void DomainKokkos::operator()(TagDomain_lamda2x, const int &i) const {
		void DomainKokkos::x2lamda(int n)
		{
		atomKK->sync(Device,X_MASK);
		atomKK->modified(Device,X_MASK);

		x = atomKK->k_x.view<LMPDeviceType>();

		@@ -587,6 +589,8 @@ void DomainKokkos::x2lamda(int n)
		Kokkos::parallel_for(Kokkos::RangePolicy<LMPDeviceType, TagDomain_x2lamda>(0,n),*this);
		LMPDeviceType::fence();
		copymode = 0;

		atomKK->modified(Device,X_MASK);
		}

		KOKKOS_INLINE_FUNCTION

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