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Update Kokkos library in LAMMPS to v3.6.0

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This commit is contained in:
Stan Gerald Moore
2022-05-05 11:44:47 -06:00
parent bd4bbbddbe
commit b79c0bc7b4
380 changed files with 41928 additions and 8786 deletions
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180
lib/kokkos/core/unit_test/TestNumericTraits.hpp
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@ -81,6 +81,8 @@ struct FiniteMin { template <class T> using trait = Kokkos::Experimental::finite
struct FiniteMax { template <class T> using trait = Kokkos::Experimental::finite_max<T>; };
struct RoundError { template <class T> using trait = Kokkos::Experimental::round_error<T>; };
struct NormMin { template <class T> using trait = Kokkos::Experimental::norm_min<T>; };
struct DenormMin { template <class T> using trait = Kokkos::Experimental::denorm_min<T>; };
struct ReciprocalOverflowThreshold { template <class T> using trait = Kokkos::Experimental::reciprocal_overflow_threshold<T>; };
struct Digits { template <class T> using trait = Kokkos::Experimental::digits<T>; };
struct Digits10 { template <class T> using trait = Kokkos::Experimental::digits10<T>; };
struct MaxDigits10 { template <class T> using trait = Kokkos::Experimental::max_digits10<T>; };
@ -89,6 +91,8 @@ struct MinExponent { template <class T> using trait = Kokkos::Experimental::min_
struct MaxExponent { template <class T> using trait = Kokkos::Experimental::max_exponent<T>; };
struct MinExponent10 { template <class T> using trait = Kokkos::Experimental::min_exponent10<T>; };
struct MaxExponent10 { template <class T> using trait = Kokkos::Experimental::max_exponent10<T>; };
struct QuietNaN { template <class T> using trait = Kokkos::Experimental::quiet_NaN<T>; };
struct SignalingNaN { template <class T> using trait = Kokkos::Experimental::signaling_NaN<T>; };
// clang-format on
template <class T>
@ -149,10 +153,23 @@ struct TestNumericTraits {
use_on_device();
}
KOKKOS_FUNCTION void operator()(ReciprocalOverflowThreshold, int,
int& e) const {
using Kokkos::Experimental::reciprocal_overflow_threshold;
auto const inv = 1 / reciprocal_overflow_threshold<T>::value;
if (inv + inv == inv && inv != 0) {
KOKKOS_IMPL_DO_NOT_USE_PRINTF(
"inverse of reciprocal overflow threshold is inf\n");
++e;
}
use_on_device();
}
// clang-format off
KOKKOS_FUNCTION void operator()(FiniteMax, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(RoundError, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(NormMin, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(DenormMin, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(Digits, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(Digits10, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(MaxDigits10, int, int&) const { use_on_device(); }
@ -162,6 +179,30 @@ struct TestNumericTraits {
KOKKOS_FUNCTION void operator()(MinExponent10, int, int&) const { use_on_device(); }
KOKKOS_FUNCTION void operator()(MaxExponent10, int, int&) const { use_on_device(); }
// clang-format on
KOKKOS_FUNCTION void operator()(QuietNaN, int, int& e) const {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC
using Kokkos::Experimental::quiet_NaN;
constexpr auto nan = quiet_NaN<T>::value;
constexpr auto zero = T(0);
e += (int)!(nan != nan);
e += (int)!(nan != zero);
#else
(void)e;
#endif
use_on_device();
}
KOKKOS_FUNCTION void operator()(SignalingNaN, int, int& e) const {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC
using Kokkos::Experimental::signaling_NaN;
constexpr auto nan = signaling_NaN<T>::value;
constexpr auto zero = T(0);
e += (int)!(nan != nan);
e += (int)!(nan != zero);
#else
(void)e;
#endif
use_on_device();
}
KOKKOS_FUNCTION void use_on_device() const {
#if defined(KOKKOS_COMPILER_NVCC) || defined(KOKKOS_ENABLE_OPENMPTARGET)
@ -196,6 +237,11 @@ struct TestNumericTraits<
};
#endif
#ifdef KOKKOS_COMPILER_NVHPC
// warning: 'long double' is treated as 'double' in device code
#pragma diag_suppress 20208
#endif
TEST(TEST_CATEGORY, numeric_traits_infinity) {
TestNumericTraits<TEST_EXECSPACE, float, Infinity>();
TestNumericTraits<TEST_EXECSPACE, double, Infinity>();
@ -224,6 +270,18 @@ TEST(TEST_CATEGORY, numeric_traits_norm_min) {
TestNumericTraits<TEST_EXECSPACE, long double, NormMin>();
}
TEST(TEST_CATEGORY, numeric_traits_denorm_min) {
TestNumericTraits<TEST_EXECSPACE, float, DenormMin>();
TestNumericTraits<TEST_EXECSPACE, double, DenormMin>();
TestNumericTraits<TEST_EXECSPACE, long double, DenormMin>();
}
TEST(TEST_CATEGORY, numeric_traits_reciprocal_overflow_threshold) {
TestNumericTraits<TEST_EXECSPACE, float, ReciprocalOverflowThreshold>();
TestNumericTraits<TEST_EXECSPACE, double, ReciprocalOverflowThreshold>();
TestNumericTraits<TEST_EXECSPACE, long double, ReciprocalOverflowThreshold>();
}
TEST(TEST_CATEGORY, numeric_traits_finite_min_max) {
TestNumericTraits<TEST_EXECSPACE, char, FiniteMin>();
TestNumericTraits<TEST_EXECSPACE, char, FiniteMax>();
@ -338,6 +396,15 @@ TEST(TEST_CATEGORY, numeric_traits_min_max_exponent10) {
TestNumericTraits<TEST_EXECSPACE, long double, MaxExponent10>();
}
TEST(TEST_CATEGORY, numeric_traits_quiet_and_signaling_nan) {
TestNumericTraits<TEST_EXECSPACE, float, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, float, SignalingNaN>();
TestNumericTraits<TEST_EXECSPACE, double, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, double, SignalingNaN>();
TestNumericTraits<TEST_EXECSPACE, long double, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, long double, SignalingNaN>();
}
namespace NumericTraitsSFINAE {
struct HasNoSpecialization {};
@ -355,6 +422,9 @@ CHECK_TRAIT_IS_SFINAE_FRIENDLY(finite_max)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(epsilon)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(round_error)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(norm_min)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(denorm_min)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(quiet_NaN)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(signaling_NaN)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(digits)
CHECK_TRAIT_IS_SFINAE_FRIENDLY(digits10)
@ -417,6 +487,11 @@ CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(long double, epsilon);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(float, round_error);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(double, round_error);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(long double, round_error);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(float, denorm_min);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(double, denorm_min);
CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(long double, denorm_min);
// NOTE reciprocal_overflow_threshold purposefully omitted since it does not
// exist in std::numeric_limits
// clang-format off
static_assert(Kokkos::Experimental::norm_min<float >::value == std::numeric_limits< float>::min(), "");
static_assert(Kokkos::Experimental::norm_min<double >::value == std::numeric_limits< double>::min(), "");
@ -516,3 +591,108 @@ CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_CONSTANT(long double, max_exponent10);
#undef CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION
#undef CHECK_SAME_AS_NUMERIC_LIMITS_MEMBER_CONSTANT
#define CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(T, TRAIT) \
static_assert(Kokkos::Experimental::TRAIT<T>::value != \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert( \
std::numeric_limits<T>::TRAIT() != std::numeric_limits<T>::TRAIT(), ""); \
static_assert(Kokkos::Experimental::TRAIT<T>::value != \
std::numeric_limits<T>::TRAIT(), \
"")
// Workaround compiler issue error: expression must have a constant value
// See kokkos/kokkos#4574
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(float, quiet_NaN);
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(double, quiet_NaN);
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(long double, quiet_NaN);
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(float, signaling_NaN);
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(double, signaling_NaN);
CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION(long double, signaling_NaN);
#endif
#undef CHECK_NAN_SAME_AS_NUMERIC_LIMITS_MEMBER_FUNCTION
#define CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(T, TRAIT) \
static_assert(Kokkos::Experimental::TRAIT<T const>::value == \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert(Kokkos::Experimental::TRAIT<T volatile>::value == \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert(Kokkos::Experimental::TRAIT<T const volatile>::value == \
Kokkos::Experimental::TRAIT<T>::value, \
"")
#define CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(TRAIT) \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(float, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(double, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(long double, TRAIT)
#define CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(TRAIT) \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(bool, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(char, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(signed char, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(unsigned char, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(short, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(unsigned short, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(int, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(unsigned int, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(long int, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(unsigned long int, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(long long int, TRAIT); \
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES(unsigned long long int, TRAIT)
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(infinity);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(finite_min);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(finite_min);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(finite_max);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(finite_max);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(epsilon);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(round_error);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(norm_min);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(
reciprocal_overflow_threshold);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(digits);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(digits);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(digits10);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(digits10);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(max_digits10);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(radix);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL(radix);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(min_exponent);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(min_exponent10);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(max_exponent);
CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(max_exponent10);
#undef CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_INTEGRAL
#undef CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT
#undef CHECK_INSTANTIATED_ON_CV_QUALIFIED_TYPES
#define CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES(T, TRAIT) \
static_assert(Kokkos::Experimental::TRAIT<T>::value != \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert(Kokkos::Experimental::TRAIT<T const>::value != \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert(Kokkos::Experimental::TRAIT<T volatile>::value != \
Kokkos::Experimental::TRAIT<T>::value, \
""); \
static_assert(Kokkos::Experimental::TRAIT<T const volatile>::value != \
Kokkos::Experimental::TRAIT<T>::value, \
"")
#define CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(TRAIT) \
CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES(float, TRAIT); \
CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES(double, TRAIT); \
CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES(long double, TRAIT)
CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(quiet_NaN);
CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT(signaling_NaN);
#undef CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES_FLOATING_POINT
#undef CHECK_NAN_INSTANTIATED_ON_CV_QUALIFIED_TYPES