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Update Kokkos library in LAMMPS to v4.5.0

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This commit is contained in:
Stan Moore
2024-12-13 09:23:03 -07:00
parent a78aee5731
commit 7f68aeb6d5
617 changed files with 21499 additions and 17255 deletions
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210
lib/kokkos/containers/unit_tests/TestOffsetView.hpp
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@ -56,7 +56,18 @@ void test_offsetview_construction() {
offset_view_type ov("firstOV", range0, range1);
ASSERT_EQ("firstOV", ov.label());
ASSERT_EQ(2, ov.Rank);
#ifdef KOKKOS_ENABLE_DEPRECATION_WARNINGS
KOKKOS_IMPL_DISABLE_DEPRECATED_WARNINGS_PUSH()
#endif
#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4
ASSERT_EQ(2u, ov.Rank);
#endif
#ifdef KOKKOS_ENABLE_DEPRECATION_WARNINGS
KOKKOS_IMPL_DISABLE_DEPRECATED_WARNINGS_POP()
#endif
ASSERT_EQ(2u, ov.rank());
ASSERT_EQ(ov.begin(0), -1);
ASSERT_EQ(ov.end(0), 4);
@ -67,7 +78,6 @@ void test_offsetview_construction() {
ASSERT_EQ(ov.extent(0), 5u);
ASSERT_EQ(ov.extent(1), 5u);
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
{
Kokkos::Experimental::OffsetView<Scalar*, Device> offsetV1("OneDOffsetView",
range0);
@ -149,7 +159,6 @@ void test_offsetview_construction() {
}
ASSERT_EQ(OVResult, answer) << "Bad data found in OffsetView";
#endif
{
offset_view_type ovCopy(ov);
@ -184,7 +193,6 @@ void test_offsetview_construction() {
range3_type rangePolicy3DZero(point3_type{{0, 0, 0}},
point3_type{{extent0, extent1, extent2}});
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
int view3DSum = 0;
Kokkos::parallel_reduce(
rangePolicy3DZero,
@ -207,7 +215,6 @@ void test_offsetview_construction() {
ASSERT_EQ(view3DSum, offsetView3DSum)
<< "construction of OffsetView from View and begins array broken.";
#endif
}
view_type viewFromOV = ov.view();
@ -232,7 +239,6 @@ void test_offsetview_construction() {
view_type aView("aView", ov.extent(0), ov.extent(1));
Kokkos::deep_copy(aView, ov);
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
int sum = 0;
Kokkos::parallel_reduce(
rangePolicy2D,
@ -242,7 +248,6 @@ void test_offsetview_construction() {
sum);
ASSERT_EQ(sum, 0) << "deep_copy(view, offsetView) broken.";
#endif
}
{ // test view to offsetview deep copy
@ -251,7 +256,6 @@ void test_offsetview_construction() {
Kokkos::deep_copy(aView, 99);
Kokkos::deep_copy(ov, aView);
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
int sum = 0;
Kokkos::parallel_reduce(
rangePolicy2D,
@ -261,7 +265,6 @@ void test_offsetview_construction() {
sum);
ASSERT_EQ(sum, 0) << "deep_copy(offsetView, view) broken.";
#endif
}
}
@ -329,46 +332,131 @@ void test_offsetview_unmanaged_construction() {
ASSERT_EQ(bb, ib);
ASSERT_EQ(bb, ii);
}
}
template <typename Scalar, typename Device>
void test_offsetview_unmanaged_construction_death() {
// Preallocated memory (Only need a valid address for this test)
Scalar s;
// Regular expression syntax on Windows is a pain. `.` does not match `\n`.
// Feel free to make it work if you have time to spare.
#ifdef _WIN32
#define SKIP_REGEX_ON_WINDOWS(REGEX) ""
#else
#define SKIP_REGEX_ON_WINDOWS(REGEX) REGEX
#endif
{
using offset_view_type = Kokkos::Experimental::OffsetView<Scalar*, Device>;
// Range calculations must be positive
ASSERT_NO_THROW(offset_view_type(&s, {0}, {1}));
ASSERT_NO_THROW(offset_view_type(&s, {0}, {0}));
ASSERT_THROW(offset_view_type(&s, {0}, {-1}), std::runtime_error);
(void)offset_view_type(&s, {0}, {1});
(void)offset_view_type(&s, {0}, {0});
ASSERT_DEATH(
offset_view_type(&s, {0}, {-1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"\\(ends\\[0\\] \\(-1\\) - begins\\[0\\] \\(0\\)\\) must be "
"non-negative"));
}
{
using offset_view_type = Kokkos::Experimental::OffsetView<Scalar*, Device>;
// Range calculations must not overflow
ASSERT_NO_THROW(offset_view_type(&s, {0}, {0x7fffffffffffffffl}));
ASSERT_THROW(offset_view_type(&s, {-1}, {0x7fffffffffffffffl}),
std::runtime_error);
ASSERT_THROW(
(void)offset_view_type(&s, {0}, {0x7fffffffffffffffl});
ASSERT_DEATH(
offset_view_type(&s, {-1}, {0x7fffffffffffffffl}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"\\(ends\\[0\\] \\(9223372036854775807\\) - begins\\[0\\] "
"\\(-1\\)\\) "
"overflows"));
ASSERT_DEATH(
offset_view_type(&s, {-0x7fffffffffffffffl - 1}, {0x7fffffffffffffffl}),
std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {-0x7fffffffffffffffl - 1}, {0}),
std::runtime_error);
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"\\(ends\\[0\\] \\(9223372036854775807\\) - begins\\[0\\] "
"\\(-9223372036854775808\\)\\) "
"overflows"));
ASSERT_DEATH(
offset_view_type(&s, {-0x7fffffffffffffffl - 1}, {0}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"\\(ends\\[0\\] \\(0\\) - begins\\[0\\] "
"\\(-9223372036854775808\\)\\) "
"overflows"));
}
{
using offset_view_type = Kokkos::Experimental::OffsetView<Scalar**, Device>;
// Should throw when the rank of begins and/or ends doesn't match that of
// OffsetView
ASSERT_THROW(offset_view_type(&s, {0}, {1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0}, {1, 1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0}, {1, 1, 1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0, 0}, {1}), std::runtime_error);
ASSERT_NO_THROW(offset_view_type(&s, {0, 0}, {1, 1}));
ASSERT_THROW(offset_view_type(&s, {0, 0}, {1, 1, 1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0, 0, 0}, {1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0, 0, 0}, {1, 1}), std::runtime_error);
ASSERT_THROW(offset_view_type(&s, {0, 0, 0}, {1, 1, 1}),
std::runtime_error);
// Should throw when the rank of begins and/or ends doesn't match that
// of OffsetView
ASSERT_DEATH(
offset_view_type(&s, {0}, {1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(1\\) != Rank \\(2\\)"
".*"
"ends\\.size\\(\\) \\(1\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0}, {1, 1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(1\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0}, {1, 1, 1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(1\\) != Rank \\(2\\)"
".*"
"ends\\.size\\(\\) \\(3\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0, 0}, {1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"ends\\.size\\(\\) \\(1\\) != Rank \\(2\\)"));
(void)offset_view_type(&s, {0, 0}, {1, 1});
ASSERT_DEATH(
offset_view_type(&s, {0, 0}, {1, 1, 1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"ends\\.size\\(\\) \\(3\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0, 0, 0}, {1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(3\\) != Rank \\(2\\)"
".*"
"ends\\.size\\(\\) \\(1\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0, 0, 0}, {1, 1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(3\\) != Rank \\(2\\)"));
ASSERT_DEATH(
offset_view_type(&s, {0, 0, 0}, {1, 1, 1}),
SKIP_REGEX_ON_WINDOWS(
"Kokkos::Experimental::OffsetView ERROR: for unmanaged OffsetView"
".*"
"begins\\.size\\(\\) \\(3\\) != Rank \\(2\\)"
".*"
"ends\\.size\\(\\) \\(3\\) != Rank \\(2\\)"));
}
#undef SKIP_REGEX_ON_WINDOWS
}
template <typename Scalar, typename Device>
@ -377,8 +465,8 @@ void test_offsetview_subview() {
Kokkos::Experimental::OffsetView<Scalar*, Device> sliceMe("offsetToSlice",
{-10, 20});
{
auto offsetSubviewa = Kokkos::Experimental::subview(sliceMe, 0);
ASSERT_EQ(offsetSubviewa.Rank, 0) << "subview of offset is broken.";
auto offsetSubview = Kokkos::Experimental::subview(sliceMe, 0);
ASSERT_EQ(offsetSubview.rank(), 0u) << "subview of offset is broken.";
}
}
{ // test subview 2
@ -387,13 +475,13 @@ void test_offsetview_subview() {
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), -2);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
}
@ -406,30 +494,29 @@ void test_offsetview_subview() {
{
auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(),
Kokkos::ALL(), 0);
ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(),
0, Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, 0, Kokkos::ALL(), Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, 0, Kokkos::ALL(), Kokkos::make_pair(-30, -21));
ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 2u) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.begin(0), -20);
ASSERT_EQ(offsetSubview.end(0), 31);
ASSERT_EQ(offsetSubview.begin(1), 0);
ASSERT_EQ(offsetSubview.end(1), 9);
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
using range_type = Kokkos::MDRangePolicy<Device, Kokkos::Rank<2>,
Kokkos::IndexType<int> >;
using point_type = typename range_type::point_type;
@ -455,25 +542,24 @@ void test_offsetview_subview() {
sum);
ASSERT_EQ(sum, 6 * (e0 - b0) * (e1 - b1));
#endif
}
// slice 2
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, 0);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL(), 0);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
}
@ -486,73 +572,72 @@ void test_offsetview_subview() {
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL(), 0);
ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 3u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, Kokkos::ALL(), Kokkos::ALL(), 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 3u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, Kokkos::ALL(), 0, Kokkos::ALL(), Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 3u) << "subview of offset is broken.";
}
{
auto offsetSubview = Kokkos::Experimental::subview(
sliceMe, 0, Kokkos::ALL(), Kokkos::ALL(), Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 3u) << "subview of offset is broken.";
}
// slice 2
auto offsetSubview2a = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(),
Kokkos::ALL(), 0, 0);
ASSERT_EQ(offsetSubview2a.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview2a.rank(), 2u) << "subview of offset is broken.";
{
auto offsetSubview2b = Kokkos::Experimental::subview(
sliceMe, Kokkos::ALL(), 0, Kokkos::ALL(), 0);
ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview2b.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview2b = Kokkos::Experimental::subview(
sliceMe, Kokkos::ALL(), 0, 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview2b.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview2b = Kokkos::Experimental::subview(
sliceMe, 0, Kokkos::ALL(), 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview2b.rank(), 2u) << "subview of offset is broken.";
}
{
auto offsetSubview2b = Kokkos::Experimental::subview(
sliceMe, 0, 0, Kokkos::ALL(), Kokkos::ALL());
ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview2b.rank(), 2u) << "subview of offset is broken.";
}
// slice 3
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, 0, 0);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL(), 0, 0);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, 0, Kokkos::ALL(), 0);
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
{
auto offsetSubview =
Kokkos::Experimental::subview(sliceMe, 0, 0, 0, Kokkos::ALL());
ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
ASSERT_EQ(offsetSubview.rank(), 1u) << "subview of offset is broken.";
}
}
}
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
template <class InputIt, class T, class BinaryOperation>
KOKKOS_INLINE_FUNCTION T std_accumulate(InputIt first, InputIt last, T init,
BinaryOperation op) {
@ -586,6 +671,7 @@ void test_offsetview_offsets_rank1() {
KOKKOS_LAMBDA(const int ii, int& lerrors) {
offset_view_type ov(v, {ii});
lerrors += (ov(3) != element({3 - ii}));
lerrors += (ov[3] != element({3 - ii}));
},
errors);
@ -655,7 +741,6 @@ void test_offsetview_offsets_rank3() {
ASSERT_EQ(0, errors);
}
#endif
TEST(TEST_CATEGORY, offsetview_construction) {
test_offsetview_construction<int, TEST_EXECSPACE>();
@ -665,11 +750,15 @@ TEST(TEST_CATEGORY, offsetview_unmanaged_construction) {
test_offsetview_unmanaged_construction<int, TEST_EXECSPACE>();
}
TEST(TEST_CATEGORY_DEATH, offsetview_unmanaged_construction) {
::testing::FLAGS_gtest_death_test_style = "threadsafe";
test_offsetview_unmanaged_construction_death<int, TEST_EXECSPACE>();
}
TEST(TEST_CATEGORY, offsetview_subview) {
test_offsetview_subview<int, TEST_EXECSPACE>();
}
#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
TEST(TEST_CATEGORY, offsetview_offsets_rank1) {
test_offsetview_offsets_rank1<TEST_EXECSPACE>();
}
@ -681,7 +770,6 @@ TEST(TEST_CATEGORY, offsetview_offsets_rank2) {
TEST(TEST_CATEGORY, offsetview_offsets_rank3) {
test_offsetview_offsets_rank3<TEST_EXECSPACE>();
}
#endif
} // namespace Test