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Update Kokkos library in LAMMPS to v3.6.0

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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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lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformExclusiveScan.cpp Normal file
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/*
//@HEADER
// ************************************************************************
//
// Kokkos v. 3.0
// Copyright (2020) 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:
//
// 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
*/
#include <TestStdAlgorithmsCommon.hpp>
#include <std_algorithms/Kokkos_BeginEnd.hpp>
#include <std_algorithms/Kokkos_Numeric.hpp>
#include <utility>
namespace Test {
namespace stdalgos {
namespace TransformEScan {
namespace KE = Kokkos::Experimental;
template <class ValueType>
struct UnifDist;
template <>
struct UnifDist<double> {
using dist_type = std::uniform_real_distribution<double>;
std::mt19937 m_gen;
dist_type m_dist;
UnifDist() : m_dist(0.05, 1.2) { m_gen.seed(1034343); }
double operator()() { return m_dist(m_gen); }
};
template <>
struct UnifDist<int> {
using dist_type = std::uniform_int_distribution<int>;
std::mt19937 m_gen;
dist_type m_dist;
UnifDist() : m_dist(1, 3) { m_gen.seed(1034343); }
int operator()() { return m_dist(m_gen); }
};
template <class ViewType>
void fill_zero(ViewType view) {
Kokkos::parallel_for(view.extent(0), FillZeroFunctor<ViewType>(view));
}
template <class ViewType>
void fill_view(ViewType dest_view, const std::string& name) {
using value_type = typename ViewType::value_type;
using exe_space = typename ViewType::execution_space;
const std::size_t ext = dest_view.extent(0);
using aux_view_t = Kokkos::View<value_type*, exe_space>;
aux_view_t aux_view("aux_view", ext);
auto v_h = create_mirror_view(Kokkos::HostSpace(), aux_view);
UnifDist<value_type> randObj;
if (name == "empty") {
// no op
}
else if (name == "one-element") {
assert(v_h.extent(0) == 1);
v_h(0) = static_cast<value_type>(1);
}
else if (name == "two-elements-a") {
assert(v_h.extent(0) == 2);
v_h(0) = static_cast<value_type>(1);
v_h(1) = static_cast<value_type>(2);
}
else if (name == "two-elements-b") {
assert(v_h.extent(0) == 2);
v_h(0) = static_cast<value_type>(2);
v_h(1) = static_cast<value_type>(-1);
}
else if (name == "small-a") {
assert(v_h.extent(0) == 9);
v_h(0) = static_cast<value_type>(3);
v_h(1) = static_cast<value_type>(1);
v_h(2) = static_cast<value_type>(4);
v_h(3) = static_cast<value_type>(1);
v_h(4) = static_cast<value_type>(5);
v_h(5) = static_cast<value_type>(9);
v_h(6) = static_cast<value_type>(2);
v_h(7) = static_cast<value_type>(6);
v_h(8) = static_cast<value_type>(2);
}
else if (name == "small-b") {
assert(v_h.extent(0) >= 6);
for (std::size_t i = 0; i < ext; ++i) {
v_h(i) = randObj();
}
v_h(5) = static_cast<value_type>(-2);
}
else if (name == "medium" || name == "large") {
for (std::size_t i = 0; i < ext; ++i) {
v_h(i) = randObj();
}
}
else {
throw std::runtime_error("invalid choice");
}
Kokkos::deep_copy(aux_view, v_h);
CopyFunctor<aux_view_t, ViewType> F1(aux_view, dest_view);
Kokkos::parallel_for("copy", dest_view.extent(0), F1);
}
// I had to write my own because std::transform_exclusive_scan is ONLY found
// with std=c++17
template <class it1, class it2, class ValType, class BopType, class UopType>
void my_host_transform_exclusive_scan(it1 first, it1 last, it2 dest,
ValType init, BopType bop, UopType uop) {
const auto num_elements = last - first;
if (num_elements > 0) {
while (first < last - 1) {
*(dest++) = init;
init = bop(uop(*(first++)), init);
}
*dest = init;
}
}
template <class ViewType1, class ViewType2, class ValueType, class BinaryOp,
class UnaryOp>
void verify_data(ViewType1 data_view, // contains data
ViewType2 test_view, // the view to test
ValueType init_value, BinaryOp bop, UnaryOp uop) {
//! always careful because views might not be deep copyable
auto data_view_dc = create_deep_copyable_compatible_clone(data_view);
auto data_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), data_view_dc);
using gold_view_value_type = typename ViewType2::value_type;
Kokkos::View<gold_view_value_type*, Kokkos::HostSpace> gold_h(
"goldh", data_view.extent(0));
my_host_transform_exclusive_scan(KE::cbegin(data_view_h),
KE::cend(data_view_h), KE::begin(gold_h),
init_value, bop, uop);
auto test_view_dc = create_deep_copyable_compatible_clone(test_view);
auto test_view_h =
create_mirror_view_and_copy(Kokkos::HostSpace(), test_view_dc);
if (test_view_h.extent(0) > 0) {
for (std::size_t i = 0; i < test_view_h.extent(0); ++i) {
// std::cout << i << " " << std::setprecision(15) << data_view_h(i) << " "
// << gold_h(i) << " " << test_view_h(i) << " "
// << std::abs(gold_h(i) - test_view_h(i)) << std::endl;
if (std::is_same<gold_view_value_type, int>::value) {
EXPECT_TRUE(gold_h(i) == test_view_h(i));
} else {
const auto error = std::abs(gold_h(i) - test_view_h(i));
if (error > 1e-10) {
std::cout << i << " " << std::setprecision(15) << data_view_h(i)
<< " " << gold_h(i) << " " << test_view_h(i) << " "
<< std::abs(gold_h(i) - test_view_h(i)) << std::endl;
}
EXPECT_TRUE(error < 1e-10);
}
}
// std::cout << " last el: " << test_view_h(test_view_h.extent(0)-1) <<
// std::endl;
}
}
template <class ValueType>
struct TimesTwoUnaryFunctor {
KOKKOS_INLINE_FUNCTION
ValueType operator()(const ValueType& a) const { return (a * ValueType(2)); }
};
template <class ValueType>
struct SumBinaryFunctor {
KOKKOS_INLINE_FUNCTION
ValueType operator()(const ValueType& a, const ValueType& b) const {
return (a + b);
}
KOKKOS_INLINE_FUNCTION
ValueType operator()(const volatile ValueType& a,
const volatile ValueType& b) const {
return (a + b);
}
};
std::string value_type_to_string(int) { return "int"; }
std::string value_type_to_string(double) { return "double"; }
template <class Tag, class ValueType, class InfoType, class BinaryOp,
class UnaryOp>
void run_single_scenario(const InfoType& scenario_info, ValueType init_value,
BinaryOp bop, UnaryOp uop) {
const auto name = std::get<0>(scenario_info);
const std::size_t view_ext = std::get<1>(scenario_info);
// std::cout << "transform_exclusive_scan custom op: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << ", "
// << "init = " << init_value << std::endl;
auto view_dest =
create_view<ValueType>(Tag{}, view_ext, "transform_exclusive_scan");
auto view_from =
create_view<ValueType>(Tag{}, view_ext, "transform_exclusive_scan");
fill_view(view_from, name);
{
fill_zero(view_dest);
auto r = KE::transform_exclusive_scan(
exespace(), KE::cbegin(view_from), KE::cend(view_from),
KE::begin(view_dest), init_value, bop, uop);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, init_value, bop, uop);
}
{
fill_zero(view_dest);
auto r = KE::transform_exclusive_scan(
"label", exespace(), KE::cbegin(view_from), KE::cend(view_from),
KE::begin(view_dest), init_value, bop, uop);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, init_value, bop, uop);
}
{
fill_zero(view_dest);
auto r = KE::transform_exclusive_scan(exespace(), view_from, view_dest,
init_value, bop, uop);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, init_value, bop, uop);
}
{
fill_zero(view_dest);
auto r = KE::transform_exclusive_scan("label", exespace(), view_from,
view_dest, init_value, bop, uop);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, init_value, bop, uop);
}
Kokkos::fence();
}
template <class Tag, class ValueType>
void run_all_scenarios() {
const std::map<std::string, std::size_t> scenarios = {
{"empty", 0}, {"one-element", 1}, {"two-elements-a", 2},
{"two-elements-b", 2}, {"small-a", 9}, {"small-b", 13},
{"medium", 1103}, {"large", 10513}};
for (const auto& it : scenarios) {
using uop_t = TimesTwoUnaryFunctor<ValueType>;
using bop_t = SumBinaryFunctor<ValueType>;
run_single_scenario<Tag, ValueType>(it, ValueType{0}, bop_t(), uop_t());
run_single_scenario<Tag, ValueType>(it, ValueType{1}, bop_t(), uop_t());
run_single_scenario<Tag, ValueType>(it, ValueType{-2}, bop_t(), uop_t());
run_single_scenario<Tag, ValueType>(it, ValueType{3}, bop_t(), uop_t());
}
}
#if not defined KOKKOS_ENABLE_OPENMPTARGET
TEST(std_algorithms_numeric_ops_test, transform_exclusive_scan) {
run_all_scenarios<DynamicTag, double>();
run_all_scenarios<StridedThreeTag, double>();
run_all_scenarios<DynamicTag, int>();
run_all_scenarios<StridedThreeTag, int>();
}
#endif
} // namespace TransformEScan
} // namespace stdalgos
} // namespace Test