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Update Kokkos library in LAMMPS to v4.4.0

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This commit is contained in:
Stan Moore
2024-09-11 09:20:36 -06:00
parent 16b19c71c1
commit a44955dd2e
254 changed files with 14227 additions and 9881 deletions
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105
lib/kokkos/core/unit_test/TestNumericTraits.hpp
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@ -21,6 +21,19 @@
#include <limits>
#include "Kokkos_NumericTraits.hpp"
// Suppress "'long double' is treated as 'double' in device code"
#ifdef KOKKOS_COMPILER_NVCC
#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
#pragma nv_diagnostic push
#pragma nv_diag_suppress 20208
#else
#ifdef __CUDA_ARCH__
#pragma diagnostic push
#pragma diag_suppress 20208
#endif
#endif
#endif
struct extrema {
#define DEFINE_EXTREMA(T, m, M) \
KOKKOS_FUNCTION static T min(T) { return m; } \
@ -145,33 +158,25 @@ struct TestNumericTraits {
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 23.7 nan
using Kokkos::Experimental::quiet_NaN;
constexpr auto nan = quiet_NaN<T>::value;
auto const 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 23.7 nan
using Kokkos::Experimental::signaling_NaN;
constexpr auto nan = signaling_NaN<T>::value;
auto const 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_COMPILER_NVHPC) || \
defined(KOKKOS_ENABLE_OPENMPTARGET) || defined(KOKKOS_ENABLE_OPENACC)
#if defined(KOKKOS_COMPILER_NVCC) || defined(KOKKOS_ENABLE_OPENMPTARGET) || \
defined(KOKKOS_ENABLE_OPENACC)
take_by_value(trait<T>::value);
#else
(void)take_address_of(trait<T>::value);
@ -204,59 +209,46 @@ struct TestNumericTraits<
#endif
TEST(TEST_CATEGORY, numeric_traits_infinity) {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC 23.7
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t, Infinity>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, Infinity>();
#endif
TestNumericTraits<TEST_EXECSPACE, float, Infinity>();
TestNumericTraits<TEST_EXECSPACE, double, Infinity>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, Infinity>();
#endif
}
TEST(TEST_CATEGORY, numeric_traits_epsilon) {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC 23.7 bit_comparison_type
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t, Epsilon>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, Epsilon>();
#endif
TestNumericTraits<TEST_EXECSPACE, float, Epsilon>();
TestNumericTraits<TEST_EXECSPACE, double, Epsilon>();
// FIXME_NVHPC 23.7 long double
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, Epsilon>();
#endif
}
TEST(TEST_CATEGORY, numeric_traits_round_error) {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC 23.7 bit_comparison_type
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t, RoundError>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t,
RoundError>();
#endif
TestNumericTraits<TEST_EXECSPACE, float, RoundError>();
TestNumericTraits<TEST_EXECSPACE, double, RoundError>();
// FIXME_NVHPC 23.7 long double
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, RoundError>();
#endif
}
TEST(TEST_CATEGORY, numeric_traits_norm_min) {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC 23.7 bit_comparison_type
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t, NormMin>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, NormMin>();
#endif
TestNumericTraits<TEST_EXECSPACE, float, NormMin>();
TestNumericTraits<TEST_EXECSPACE, double, NormMin>();
// FIXME_NVHPC 23.7 long double
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, NormMin>();
#endif
}
@ -264,9 +256,8 @@ TEST(TEST_CATEGORY, numeric_traits_norm_min) {
TEST(TEST_CATEGORY, numeric_traits_denorm_min) {
TestNumericTraits<TEST_EXECSPACE, float, DenormMin>();
TestNumericTraits<TEST_EXECSPACE, double, DenormMin>();
// FIXME_NVHPC 23.7 long double
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, DenormMin>();
#endif
}
@ -303,10 +294,8 @@ TEST(TEST_CATEGORY, numeric_traits_finite_min_max) {
TestNumericTraits<TEST_EXECSPACE, float, FiniteMax>();
TestNumericTraits<TEST_EXECSPACE, double, FiniteMin>();
TestNumericTraits<TEST_EXECSPACE, double, FiniteMax>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, FiniteMin>();
TestNumericTraits<TEST_EXECSPACE, long double, FiniteMax>();
#endif
@ -329,10 +318,8 @@ TEST(TEST_CATEGORY, numeric_traits_digits) {
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, Digits>();
TestNumericTraits<TEST_EXECSPACE, float, Digits>();
TestNumericTraits<TEST_EXECSPACE, double, Digits>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, Digits>();
#endif
}
@ -354,10 +341,8 @@ TEST(TEST_CATEGORY, numeric_traits_digits10) {
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, Digits10>();
TestNumericTraits<TEST_EXECSPACE, float, Digits10>();
TestNumericTraits<TEST_EXECSPACE, double, Digits10>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, Digits10>();
#endif
}
@ -365,10 +350,8 @@ TEST(TEST_CATEGORY, numeric_traits_digits10) {
TEST(TEST_CATEGORY, numeric_traits_max_digits10) {
TestNumericTraits<TEST_EXECSPACE, float, MaxDigits10>();
TestNumericTraits<TEST_EXECSPACE, double, MaxDigits10>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, MaxDigits10>();
#endif
}
@ -389,10 +372,8 @@ TEST(TEST_CATEGORY, numeric_traits_radix) {
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, Radix>();
TestNumericTraits<TEST_EXECSPACE, float, Radix>();
TestNumericTraits<TEST_EXECSPACE, double, Radix>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, Radix>();
#endif
}
@ -406,10 +387,8 @@ TEST(TEST_CATEGORY, numeric_traits_min_max_exponent) {
TestNumericTraits<TEST_EXECSPACE, float, MaxExponent>();
TestNumericTraits<TEST_EXECSPACE, double, MinExponent>();
TestNumericTraits<TEST_EXECSPACE, double, MaxExponent>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, MinExponent>();
TestNumericTraits<TEST_EXECSPACE, long double, MaxExponent>();
#endif
@ -420,31 +399,29 @@ TEST(TEST_CATEGORY, numeric_traits_min_max_exponent10) {
TestNumericTraits<TEST_EXECSPACE, float, MaxExponent10>();
TestNumericTraits<TEST_EXECSPACE, double, MinExponent10>();
TestNumericTraits<TEST_EXECSPACE, double, MaxExponent10>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, MinExponent10>();
TestNumericTraits<TEST_EXECSPACE, long double, MaxExponent10>();
#endif
}
TEST(TEST_CATEGORY, numeric_traits_quiet_and_signaling_nan) {
#ifndef KOKKOS_COMPILER_NVHPC // FIXME_NVHPC 23.7
// FIXME_NVHPC
#ifdef KOKKOS_COMPILER_NVHPC
GTEST_SKIP() << "This test is known to fail with the NVHPC compiler";
#endif
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::half_t,
SignalingNaN>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, Kokkos::Experimental::bhalf_t,
SignalingNaN>();
#endif
TestNumericTraits<TEST_EXECSPACE, float, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, float, SignalingNaN>();
TestNumericTraits<TEST_EXECSPACE, double, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, double, SignalingNaN>();
// FIXME_NVHPC 23.7 long double
// FIXME_OPENMPTARGET long double on Intel GPUs
#if (!defined(KOKKOS_ENABLE_CUDA) || !defined(KOKKOS_COMPILER_NVHPC)) && \
(!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
#if (!defined(KOKKOS_ENABLE_OPENMPTARGET) || !defined(KOKKOS_ARCH_INTEL_GPU))
TestNumericTraits<TEST_EXECSPACE, long double, QuietNaN>();
TestNumericTraits<TEST_EXECSPACE, long double, SignalingNaN>();
#endif
@ -736,3 +713,13 @@ 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
#ifdef KOKKOS_COMPILER_NVCC
#ifdef __NVCC_DIAG_PRAGMA_SUPPORT__
#pragma nv_diagnostic pop
#else
#ifdef __CUDA_ARCH__
#pragma diagnostic pop
#endif
#endif
#endif