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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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48
lib/kokkos/algorithms/src/Kokkos_Random.hpp
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@ -849,18 +849,17 @@ class Random_XorShift64 {
return drand(end - start) + start;
}
// Marsaglia polar method for drawing a standard normal distributed random
// Box-muller method for drawing a standard normal distributed random
// number
KOKKOS_INLINE_FUNCTION
double normal() {
double S = 2.0;
double U;
while (S >= 1.0) {
U = 2.0 * drand() - 1.0;
const double V = 2.0 * drand() - 1.0;
S = U * U + V * V;
}
return U * std::sqrt(-2.0 * std::log(S) / S);
constexpr auto two_pi = 2 * Kokkos::numbers::pi_v<double>;
const double u = drand();
const double v = drand();
const double r = Kokkos::sqrt(-2.0 * Kokkos::log(u));
const double theta = v * two_pi;
return r * Kokkos::cos(theta);
}
KOKKOS_INLINE_FUNCTION
@ -1094,18 +1093,17 @@ class Random_XorShift1024 {
return drand(end - start) + start;
}
// Marsaglia polar method for drawing a standard normal distributed random
// Box-muller method for drawing a standard normal distributed random
// number
KOKKOS_INLINE_FUNCTION
double normal() {
double S = 2.0;
double U;
while (S >= 1.0) {
U = 2.0 * drand() - 1.0;
const double V = 2.0 * drand() - 1.0;
S = U * U + V * V;
}
return U * std::sqrt(-2.0 * std::log(S) / S);
constexpr auto two_pi = 2 * Kokkos::numbers::pi_v<double>;
const double u = drand();
const double v = drand();
const double r = Kokkos::sqrt(-2.0 * Kokkos::log(u));
const double theta = v * two_pi;
return r * Kokkos::cos(theta);
}
KOKKOS_INLINE_FUNCTION
@ -1545,13 +1543,23 @@ template <class ViewType, class RandomPool, class IndexType = int64_t>
void fill_random(ViewType a, RandomPool g,
typename ViewType::const_value_type begin,
typename ViewType::const_value_type end) {
fill_random(typename ViewType::execution_space{}, a, g, begin, end);
Kokkos::fence(
"fill_random: fence before since no execution space instance provided");
typename ViewType::execution_space exec;
fill_random(exec, a, g, begin, end);
exec.fence(
"fill_random: fence after since no execution space instance provided");
}
template <class ViewType, class RandomPool, class IndexType = int64_t>
void fill_random(ViewType a, RandomPool g,
typename ViewType::const_value_type range) {
fill_random(typename ViewType::execution_space{}, a, g, 0, range);
Kokkos::fence(
"fill_random: fence before since no execution space instance provided");
typename ViewType::execution_space exec;
fill_random(exec, a, g, 0, range);
exec.fence(
"fill_random: fence after since no execution space instance provided");
}
} // namespace Kokkos