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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/TestStdAlgorithmsInclusiveScan.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 IncScan {
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") {
v_h(0) = static_cast<value_type>(1);
}
else if (name == "two-elements-a") {
v_h(0) = static_cast<value_type>(1);
v_h(1) = static_cast<value_type>(2);
}
else if (name == "two-elements-b") {
v_h(0) = static_cast<value_type>(2);
v_h(1) = static_cast<value_type>(-1);
}
else if (name == "small-a") {
for (std::size_t i = 0; i < ext; ++i) {
v_h(i) = static_cast<value_type>(i + 1);
}
}
else if (name == "small-b") {
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-a" || name == "medium-b" || 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);
}
// my own because std::inclusive_scan is ONLY found with std=c++17
template <class it1, class it2, class BinOp>
void my_host_inclusive_scan(it1 first, it1 last, it2 dest, BinOp bop) {
if (first != last) {
auto init = *first;
*dest = init;
while (++first < last) {
init = bop(*first, init);
*(++dest) = init;
}
}
}
template <class it1, class it2, class BinOp, class ValType>
void my_host_inclusive_scan(it1 first, it1 last, it2 dest, BinOp bop,
ValType init) {
if (first != last) {
init = bop(*first, init);
*dest = init;
while (++first < last) {
init = bop(*first, init);
*(++dest) = init;
}
}
}
template <class ViewType1, class ViewType2, class BinaryOp, class... Args>
void verify_data(ViewType1 data_view, // contains data
ViewType2 test_view, // the view to test
BinaryOp bop, Args... args /* copy on purpose */) {
//! 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_inclusive_scan(KE::cbegin(data_view_h), KE::cend(data_view_h),
KE::begin(gold_h), bop, args...);
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);
const auto ext = test_view_h.extent(0);
if (ext > 0) {
for (std::size_t i = 0; i < ext; ++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(ext-1) << std::endl;
}
}
template <class ValueType>
struct MultiplyFunctor {
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);
}
};
template <class ValueType>
struct SumFunctor {
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>
void run_single_scenario_default_op(const InfoType& scenario_info) {
using default_op = SumFunctor<ValueType>;
const auto name = std::get<0>(scenario_info);
const std::size_t view_ext = std::get<1>(scenario_info);
// std::cout << "inclusive_scan default op: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << std::endl;
auto view_dest = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
auto view_from = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
fill_view(view_from, name);
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest));
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest));
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), view_from, view_dest);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, default_op());
}
Kokkos::fence();
}
template <class Tag, class ValueType, class InfoType, class BinaryOp,
class... Args>
void run_single_scenario_custom_op(const InfoType& scenario_info, BinaryOp bop,
Args... args /* copy on purpose */) {
const auto name = std::get<0>(scenario_info);
const std::size_t view_ext = std::get<1>(scenario_info);
// if (1 == sizeof...(Args)) {
// std::cout << "inclusive_scan custom op and init value: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << ", " << std::endl;
// } else {
// std::cout << "inclusive_scan custom op: " << name << ", "
// << view_tag_to_string(Tag{}) << ", "
// << value_type_to_string(ValueType()) << ", " << std::endl;
// }
auto view_dest = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
auto view_from = create_view<ValueType>(Tag{}, view_ext, "inclusive_scan");
fill_view(view_from, name);
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), bop,
args...);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from),
KE::cend(view_from), KE::begin(view_dest), bop,
args...);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan(exespace(), view_from, view_dest, bop, args...);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
}
{
fill_zero(view_dest);
auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest, bop,
args...);
EXPECT_TRUE(r == KE::end(view_dest));
verify_data(view_from, view_dest, bop, args...);
}
Kokkos::fence();
}
template <class Tag, class ValueType>
void run_inclusive_scan_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-a", 313}, {"medium-b", 1103}, {"large", 10513}};
for (const auto& it : scenarios) {
run_single_scenario_default_op<Tag, ValueType>(it);
#if not defined KOKKOS_ENABLE_OPENMPTARGET
// the sum custom op is always run
using sum_binary_op = SumFunctor<ValueType>;
sum_binary_op sbop;
run_single_scenario_custom_op<Tag, ValueType>(it, sbop);
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{0});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{1});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{-2});
run_single_scenario_custom_op<Tag, ValueType>(it, sbop, ValueType{3});
// custom multiply only for small views to avoid overflows
if (it.first == "small-a" || it.first == "small-b") {
using mult_binary_op = MultiplyFunctor<ValueType>;
mult_binary_op mbop;
run_single_scenario_custom_op<Tag, ValueType>(it, mbop);
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{0});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{1});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{-2});
run_single_scenario_custom_op<Tag, ValueType>(it, mbop, ValueType{3});
}
#endif
}
}
TEST(std_algorithms_numeric_ops_test, inclusive_scan) {
run_inclusive_scan_all_scenarios<DynamicTag, double>();
run_inclusive_scan_all_scenarios<StridedThreeTag, double>();
run_inclusive_scan_all_scenarios<DynamicTag, int>();
run_inclusive_scan_all_scenarios<StridedThreeTag, int>();
}
} // namespace IncScan
} // namespace stdalgos
} // namespace Test