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Avoid unnecessary deep_copy when only a single memory space

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Stan Gerald Moore
2021-07-12 14:21:05 -06:00
parent b752bda1b9
commit 65e2a8f070
3 changed files with 17 additions and 13 deletions
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2
src/KOKKOS/atom_kokkos.h
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@ -77,8 +77,6 @@ class AtomKokkos : public Atom {
DAT::tdual_int_1d k_map_array; DAT::tdual_int_1d k_map_array;
DAT::tdual_int_scalar k_error_flag; DAT::tdual_int_scalar k_error_flag;
dual_hash_type k_map_hash; dual_hash_type k_map_hash;
hash_type d_map_hash;
host_hash_type h_map_hash;
template<class DeviceType> template<class DeviceType>
KOKKOS_INLINE_FUNCTION KOKKOS_INLINE_FUNCTION

22
src/KOKKOS/atom_map_kokkos.cpp
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@ -109,7 +109,10 @@ void AtomKokkos::map_init(int check)
for (int i = 0; i < map_nhash; i++) map_hash[i].next = i + 1; for (int i = 0; i < map_nhash; i++) map_hash[i].next = i + 1;
map_hash[map_nhash - 1].next = -1; map_hash[map_nhash - 1].next = -1;
h_map_hash = host_hash_type(map_nhash); // use "view" template method to avoid unnecessary deep_copy
auto h_map_hash = k_map_hash.view<LMPHostType>();
h_map_hash = decltype(h_map_hash)(map_nhash);
} }
} }
@ -207,6 +210,9 @@ void AtomKokkos::map_set()
// Copy to Kokkos hash // Copy to Kokkos hash
// use "view" template method to avoid unnecessary deep_copy
auto h_map_hash = k_map_hash.view<LMPHostType>();
h_map_hash.clear(); h_map_hash.clear();
for (int i = nall - 1; i >= 0; i--) { for (int i = nall - 1; i >= 0; i--) {
@ -237,6 +243,11 @@ void AtomKokkos::map_set()
k_map_array.modify_host(); k_map_array.modify_host();
else if (map_style == Atom::MAP_HASH) { else if (map_style == Atom::MAP_HASH) {
// use "view" template method to avoid unnecessary deep_copy
auto h_map_hash = k_map_hash.view<LMPHostType>();
auto d_map_hash = k_map_hash.view<LMPDeviceType>();
// check if fix shake or neigh bond needs a device hash // check if fix shake or neigh bond needs a device hash
int device_hash_flag = 0; int device_hash_flag = 0;
@ -248,10 +259,7 @@ void AtomKokkos::map_set()
if (utils::strmatch(modify->fix[n]->style, "^shake")) if (utils::strmatch(modify->fix[n]->style, "^shake"))
if (modify->fix[n]->execution_space == Device) device_hash_flag = 1; if (modify->fix[n]->execution_space == Device) device_hash_flag = 1;
if (device_hash_flag) Kokkos::deep_copy(d_map_hash, h_map_hash); if (device_hash_flag) Kokkos::deep_copy(d_map_hash,h_map_hash);
k_map_hash.h_view = h_map_hash;
k_map_hash.d_view = d_map_hash;
} }
} }
@ -268,8 +276,8 @@ void AtomKokkos::map_delete()
memoryKK->destroy_kokkos(k_map_array, map_array); memoryKK->destroy_kokkos(k_map_array, map_array);
map_array = nullptr; map_array = nullptr;
} else { } else {
h_map_hash = host_hash_type(); k_map_hash.h_view = host_hash_type();
d_map_hash = hash_type(); k_map_hash.d_view = hash_type();
} }
Atom::map_delete(); Atom::map_delete();

6
src/KOKKOS/kokkos_type.h
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@ -560,12 +560,10 @@ struct dual_hash_type {
host_hash_type h_view; host_hash_type h_view;
template<class DeviceType> template<class DeviceType>
KOKKOS_INLINE_FUNCTION std::enable_if_t<(std::is_same<DeviceType,LMPDeviceType>::value || Kokkos::SpaceAccessibility<LMPDeviceType::memory_space,LMPHostType::memory_space>::accessible),hash_type> view() {return d_view;}
std::enable_if_t<std::is_same<DeviceType,LMPDeviceType>::value,hash_type> view() {return d_view;}
template<class DeviceType> template<class DeviceType>
KOKKOS_INLINE_FUNCTION std::enable_if_t<!(std::is_same<DeviceType,LMPDeviceType>::value || Kokkos::SpaceAccessibility<LMPDeviceType::memory_space,LMPHostType::memory_space>::accessible),host_hash_type> view() {return h_view;}
std::enable_if_t<!std::is_same<DeviceType,LMPDeviceType>::value,host_hash_type> view() {return h_view;}
}; };