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Update Kokkos library in LAMMPS to v4.3.0

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This commit is contained in:
Stan Gerald Moore
2024-04-05 08:20:57 -06:00
parent 2927471892
commit f382eac5c2
393 changed files with 13253 additions and 12499 deletions
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226
lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsInclusiveScan.cpp
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@ -16,6 +16,7 @@
#include <TestStdAlgorithmsCommon.hpp>
#include <utility>
#include <iomanip>
namespace Test {
namespace stdalgos {
@ -143,51 +144,6 @@ void my_host_inclusive_scan(it1 first, it1 last, it2 dest, BinOp bop,
}
}
template <class ViewType1, class ViewType2, class BinaryOp, class... Args>
void verify_data(ViewType1 data_view, // contains data
ViewType2 test_view, // the view to test
BinaryOp bop, Args... args /* copy on purpose */) {
//! always careful because views might not be deep copyable
auto data_view_dc = create_deep_copyable_compatible_clone(data_view);
auto data_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), data_view_dc);
using gold_view_value_type = typename ViewType2::value_type;
Kokkos::View<gold_view_value_type*, Kokkos::HostSpace> gold_h(
"goldh", data_view.extent(0));
my_host_inclusive_scan(KE::cbegin(data_view_h), KE::cend(data_view_h),
KE::begin(gold_h), bop, args...);
auto test_view_dc = create_deep_copyable_compatible_clone(test_view);
auto test_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), test_view_dc);
const auto ext = test_view_h.extent(0);
if (ext > 0) {
for (std::size_t i = 0; i < ext; ++i) {
// std::cout << i << " " << std::setprecision(15) << data_view_h(i) << " "
// << gold_h(i) << " " << test_view_h(i) << " "
// << std::abs(gold_h(i) - test_view_h(i)) << std::endl;
if (std::is_same<gold_view_value_type, int>::value) {
ASSERT_EQ(gold_h(i), test_view_h(i));
} else {
const auto error =
std::abs(static_cast<double>(gold_h(i) - test_view_h(i)));
if (error > 1e-10) {
std::cout << i << " " << std::setprecision(15) << data_view_h(i)
<< " " << gold_h(i) << " " << test_view_h(i) << " "
<< std::abs(static_cast<double>(gold_h(i) - test_view_h(i)))
<< std::endl;
}
EXPECT_LT(error, 1e-10);
}
}
// std::cout << " last el: " << test_view_h(ext-1) << std::endl;
}
}
template <class ValueType>
struct MultiplyFunctor {
KOKKOS_INLINE_FUNCTION
@ -204,107 +160,151 @@ struct SumFunctor {
}
};
struct VerifyData {
template <class ViewType1, class ViewType2, class BinaryOp, class... Args>
void operator()(ViewType1 data_view, // contains data
ViewType2 test_view, // the view to test
BinaryOp bop, Args... args /* copy on purpose */) {
//! always careful because views might not be deep copyable
auto data_view_dc = create_deep_copyable_compatible_clone(data_view);
auto data_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), data_view_dc);
using gold_view_value_type = typename ViewType2::value_type;
Kokkos::View<gold_view_value_type*, Kokkos::HostSpace> gold_h(
"goldh", data_view.extent(0));
my_host_inclusive_scan(KE::cbegin(data_view_h), KE::cend(data_view_h),
KE::begin(gold_h), bop, args...);
auto test_view_dc = create_deep_copyable_compatible_clone(test_view);
auto test_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), test_view_dc);
const auto ext = test_view_h.extent(0);
if (ext > 0) {
for (std::size_t i = 0; i < ext; ++i) {
if (std::is_same<gold_view_value_type, int>::value) {
ASSERT_EQ(gold_h(i), test_view_h(i));
} else {
const auto error =
std::abs(static_cast<double>(gold_h(i) - test_view_h(i)));
ASSERT_LT(error, 1e-10) << i << " " << std::setprecision(15) << error
<< static_cast<double>(test_view_h(i)) << " "
<< static_cast<double>(gold_h(i));
}
}
}
}
template <class ViewType1, class ViewType2>
void operator()(ViewType1 data_view, // contains data
ViewType2 test_view) // the view to test
{
using value_type = typename ViewType1::non_const_value_type;
(*this)(data_view, test_view, SumFunctor<value_type>());
}
};
std::string value_type_to_string(int) { return "int"; }
std::string value_type_to_string(double) { return "double"; }
template <class Tag, class ValueType, class InfoType>
void run_single_scenario_default_op(const InfoType& scenario_info) {
using default_op = SumFunctor<ValueType>;
template <class Tag, class ValueType, class InfoType, class... Args>
void run_single_scenario(const InfoType& scenario_info,
Args... args /* copy on purpose */) {
const auto name = std::get<0>(scenario_info);
const std::size_t view_ext = std::get<1>(scenario_info);
// std::cout << "inclusive_scan default op: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << std::endl;
auto view_dest = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
auto view_from = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
fill_view(view_from, name);
// view_dest is filled with zeros before calling the algorithm everytime to
// ensure the algorithm does something meaningful
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest));
auto r =
KE::inclusive_scan(exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
VerifyData()(view_from, view_dest, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest));
auto r =
KE::inclusive_scan("label", exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
VerifyData()(view_from, view_dest, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), view_from, view_dest);
auto r = KE::inclusive_scan(exespace(), view_from, view_dest, args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
VerifyData()(view_from, view_dest, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest);
auto r =
KE::inclusive_scan("label", exespace(), view_from, view_dest, args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
VerifyData()(view_from, view_dest, args...);
}
Kokkos::fence();
}
template <class Tag, class ValueType, class InfoType, class BinaryOp,
class... Args>
void run_single_scenario_custom_op(const InfoType& scenario_info, BinaryOp bop,
Args... args /* copy on purpose */) {
template <class Tag, class ValueType, class InfoType, class... Args>
void run_single_scenario_inplace(const InfoType& scenario_info,
Args... args /* copy on purpose */) {
const auto name = std::get<0>(scenario_info);
const std::size_t view_ext = std::get<1>(scenario_info);
// if (1 == sizeof...(Args)) {
// std::cout << "inclusive_scan custom op and init value: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << ", " << std::endl;
// } else {
// std::cout << "inclusive_scan custom op: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << ", " << std::endl;
// }
// since here we call the in-place operation, we need to use two views:
// view1: filled according to what the scenario asks for and is not modified
// view2: filled according to what the scenario asks for and used for the
// in-place op Therefore, after the op is done, view_2 should contain the
// result of doing exclusive scan NOTE: view2 is filled below every time
// because the algorithm acts in place
auto view_dest = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
auto view_from = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
fill_view(view_from, name);
auto view1 =
create_view<ValueType>(Tag{}, view_ext, "inclusive_scan_inplace_view1");
fill_view(view1, name);
auto view2 =
create_view<ValueType>(Tag{}, view_ext, "inclusive_scan_inplace_view2");
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), bop,
args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
fill_view(view2, name);
auto r = KE::inclusive_scan(exespace(), KE::cbegin(view2), KE::cend(view2),
KE::begin(view2), args...);
ASSERT_EQ(r, KE::end(view2));
VerifyData()(view1, view2, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), bop,
args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
fill_view(view2, name);
auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view2),
KE::cend(view2), KE::begin(view2), args...);
ASSERT_EQ(r, KE::end(view2));
VerifyData()(view1, view2, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), view_from, view_dest, bop, args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
fill_view(view2, name);
auto r = KE::inclusive_scan(exespace(), view2, view2, args...);
ASSERT_EQ(r, KE::end(view2));
VerifyData()(view1, view2, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest, bop,
args...);
ASSERT_EQ(r, KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
fill_view(view2, name);
auto r = KE::inclusive_scan("label", exespace(), view2, view2, args...);
ASSERT_EQ(r, KE::end(view2));
VerifyData()(view1, view2, args...);
}
Kokkos::fence();
@ -318,27 +318,35 @@ void run_inclusive_scan_all_scenarios() {
{"medium-a", 313}, {"medium-b", 1103}, {"large", 10513}};
for (const auto& it : scenarios) {
run_single_scenario_default_op<Tag, ValueType>(it);
run_single_scenario<Tag, ValueType>(it);
run_single_scenario_inplace<Tag, ValueType>(it);
#if !defined KOKKOS_ENABLE_OPENMPTARGET
// the sum custom op is always run
using sum_binary_op = SumFunctor<ValueType>;
sum_binary_op sbop;
run_single_scenario_custom_op<Tag, ValueType>(it, sbop);
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{0});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{1});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{-2});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{3});
run_single_scenario<Tag, ValueType>(it, sbop);
run_single_scenario<Tag, ValueType>(it, sbop, ValueType{0});
run_single_scenario<Tag, ValueType>(it, sbop, ValueType{1});
run_single_scenario<Tag, ValueType>(it, sbop, ValueType{-2});
run_single_scenario<Tag, ValueType>(it, sbop, ValueType{3});
run_single_scenario_inplace<Tag, ValueType>(it, sbop, ValueType{0});
run_single_scenario_inplace<Tag, ValueType>(it, sbop, ValueType{-2});
// custom multiply only for small views to avoid overflows
if (it.first == "small-a" || it.first == "small-b") {
using mult_binary_op = MultiplyFunctor<ValueType>;
mult_binary_op mbop;
run_single_scenario_custom_op<Tag, ValueType>(it, mbop);
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{0});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{1});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{-2});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{3});
run_single_scenario<Tag, ValueType>(it, mbop);
run_single_scenario<Tag, ValueType>(it, mbop, ValueType{0});
run_single_scenario<Tag, ValueType>(it, mbop, ValueType{1});
run_single_scenario<Tag, ValueType>(it, mbop, ValueType{-2});
run_single_scenario<Tag, ValueType>(it, mbop, ValueType{3});
run_single_scenario_inplace<Tag, ValueType>(it, mbop);
run_single_scenario_inplace<Tag, ValueType>(it, mbop, ValueType{0});
run_single_scenario_inplace<Tag, ValueType>(it, mbop, ValueType{-2});
}
#endif
}