Update Kokkos library in LAMMPS to v4.0

This commit is contained in:
Stan Gerald Moore
2023-03-03 09:22:33 -07:00
parent df9bf18ed2
commit 14cb8576f4
1117 changed files with 33357 additions and 41720 deletions

View File

@ -1,46 +1,18 @@
/*
//@HEADER
// ************************************************************************
//
// Kokkos v. 3.0
// Copyright (2020) National Technology & Engineering
// Kokkos v. 4.0
// Copyright (2022) National Technology & Engineering
// Solutions of Sandia, LLC (NTESS).
//
// Under the terms of Contract DE-NA0003525 with NTESS,
// the U.S. Government retains certain rights in this software.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met:
// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions.
// See https://kokkos.org/LICENSE for license information.
// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception
//
// 1. Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
//
// 2. Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
//
// 3. Neither the name of the Corporation nor the names of the
// contributors may be used to endorse or promote products derived from
// this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY
// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE
// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
//
// ************************************************************************
//@HEADER
*/
#ifndef KOKKOS_SIMD_COMMON_HPP
#define KOKKOS_SIMD_COMMON_HPP
@ -154,6 +126,44 @@ template <class T>
return const_where_expression(mask, value);
}
// fallback simd multiplication using generator constructor
// At the time of this writing, this fallback is only used
// to multiply vectors of 64-bit signed integers for the AVX2 backend
template <class T, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION simd<T, Abi> operator*(
simd<T, Abi> const& lhs, simd<T, Abi> const& rhs) {
return simd<T, Abi>([&](std::size_t i) { return lhs[i] * rhs[i]; });
}
// fallback simd shift using generator constructor
// At the time of this writing, these fallbacks are only used
// to shift vectors of 64-bit unsigned integers for the NEON backend
template <class T, class U, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION simd<T, Abi> operator>>(
simd<T, Abi> const& lhs, unsigned int rhs) {
return simd<T, Abi>([&](std::size_t i) { return lhs[i] >> rhs; });
}
template <class T, class U, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION simd<T, Abi> operator<<(
simd<T, Abi> const& lhs, unsigned int rhs) {
return simd<T, Abi>([&](std::size_t i) { return lhs[i] << rhs; });
}
template <class T, class U, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION simd<T, Abi> operator>>(
simd<T, Abi> const& lhs, simd<U, Abi> const& rhs) {
return simd<T, Abi>([&](std::size_t i) { return lhs[i] >> rhs[i]; });
}
template <class T, class U, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION simd<T, Abi> operator<<(
simd<T, Abi> const& lhs, simd<U, Abi> const& rhs) {
return simd<T, Abi>([&](std::size_t i) { return lhs[i] << rhs[i]; });
}
// The code below provides:
// operator@(simd<T, Abi>, Arithmetic)
// operator@(Arithmetic, simd<T, Abi>)
@ -323,6 +333,43 @@ template <class T, class Abi>
return a == simd_mask<T, Abi>(false);
}
template <class T, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION T
hmin(const_where_expression<simd_mask<T, Abi>, simd<T, Abi>> const& x) {
auto const& v = x.value();
auto const& m = x.mask();
auto result = Kokkos::reduction_identity<T>::min();
for (std::size_t i = 0; i < v.size(); ++i) {
if (m[i]) result = Kokkos::min(result, v[i]);
}
return result;
}
template <class T, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION T
hmax(const_where_expression<simd_mask<T, Abi>, simd<T, Abi>> const& x) {
auto const& v = x.value();
auto const& m = x.mask();
auto result = Kokkos::reduction_identity<T>::max();
for (std::size_t i = 0; i < v.size(); ++i) {
if (m[i]) result = Kokkos::max(result, v[i]);
}
return result;
}
template <class T, class Abi>
[[nodiscard]] KOKKOS_IMPL_HOST_FORCEINLINE_FUNCTION T
reduce(const_where_expression<simd_mask<T, Abi>, simd<T, Abi>> const& x, T,
std::plus<>) {
auto const& v = x.value();
auto const& m = x.mask();
auto result = Kokkos::reduction_identity<T>::sum();
for (std::size_t i = 0; i < v.size(); ++i) {
if (m[i]) result += v[i];
}
return result;
}
} // namespace Experimental
template <class T, class Abi>