Update Kokkos library in LAMMPS to v4.2

This commit is contained in:
Stan Gerald Moore
2023-11-21 15:02:12 -07:00
parent 33dcfb5390
commit 3306b95589
493 changed files with 41548 additions and 15629 deletions

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//@HEADER
// ************************************************************************
//
// 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.
//
// 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
//
//@HEADER
#include <TestStdAlgorithmsCommon.hpp>
#include <algorithm>
namespace Test {
namespace stdalgos {
namespace TeamRemove {
namespace KE = Kokkos::Experimental;
template <class ValueType>
struct UnifDist;
template <>
struct UnifDist<int> {
using dist_type = std::uniform_int_distribution<int>;
std::mt19937 m_gen;
dist_type m_dist;
UnifDist(int b, std::size_t seedIn) : m_dist(0, b) { m_gen.seed(seedIn); }
int operator()() { return m_dist(m_gen); }
};
template <class ViewType, class DistancesViewType, class IntraTeamSentinelView,
class ValueType>
struct TestFunctorA {
ViewType m_view;
ValueType m_targetValue;
DistancesViewType m_distancesView;
IntraTeamSentinelView m_intraTeamSentinelView;
int m_apiPick;
TestFunctorA(const ViewType view, ValueType oldVal,
const DistancesViewType distancesView,
const IntraTeamSentinelView intraTeamSentinelView, int apiPick)
: m_view(view),
m_targetValue(oldVal),
m_distancesView(distancesView),
m_intraTeamSentinelView(intraTeamSentinelView),
m_apiPick(apiPick) {}
template <class MemberType>
KOKKOS_INLINE_FUNCTION void operator()(const MemberType& member) const {
const auto myRowIndex = member.league_rank();
auto myRowView = Kokkos::subview(m_view, myRowIndex, Kokkos::ALL());
ptrdiff_t resultDist = 0;
if (m_apiPick == 0) {
auto it = KE::remove(member, KE::begin(myRowView), KE::end(myRowView),
m_targetValue);
resultDist = KE::distance(KE::begin(myRowView), it);
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_distancesView(myRowIndex) = resultDist;
});
} else if (m_apiPick == 1) {
auto it = KE::remove(member, myRowView, m_targetValue);
resultDist = KE::distance(KE::begin(myRowView), it);
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_distancesView(myRowIndex) = resultDist;
});
}
// store result of checking if all members have their local
// values matching the one stored in m_distancesView
member.team_barrier();
const bool intraTeamCheck = team_members_have_matching_result(
member, resultDist, m_distancesView(myRowIndex));
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_intraTeamSentinelView(myRowIndex) = intraTeamCheck;
});
}
};
template <class LayoutTag, class ValueType>
void test_A(std::size_t numTeams, std::size_t numCols, int apiId) {
/* description:
set a random subset of each row of a rank-2 view
to a target value and run a team-level KE::remove
with one team per row to remove all those elements.
*/
const auto targetVal = static_cast<ValueType>(531);
// -----------------------------------------------
// prepare data
// -----------------------------------------------
// Create a view in the memory space associated with default exespace with as
// many rows as the number of teams and fill it with random values from an
// arbitrary range. Pick range so that some of the values are equal to target.
auto [dataView, dataView_h] = create_random_view_and_host_clone(
LayoutTag{}, numTeams, numCols,
Kokkos::pair<ValueType, ValueType>{targetVal - 1, targetVal + 1},
"dataView");
// note that we need to count how many elements are equal
// to targetVal because the dataView was origianlly filled
// with random values
std::vector<std::size_t> perRowRealCount(numTeams);
for (std::size_t i = 0; i < dataView_h.extent(0); ++i) {
std::size_t realCount = 0;
for (std::size_t j = 0; j < dataView_h.extent(1); ++j) {
if (dataView_h(i, j) == targetVal) {
realCount++;
}
}
perRowRealCount[i] = realCount;
}
// -----------------------------------------------
// launch kokkos kernel
// -----------------------------------------------
using space_t = Kokkos::DefaultExecutionSpace;
Kokkos::TeamPolicy<space_t> policy(numTeams, Kokkos::AUTO());
// each team stores the distance of the returned iterator from the
// beginning of the interval that team operates on and then we check
// that these distances match the std result
Kokkos::View<std::size_t*> distancesView("distancesView", numTeams);
// sentinel to check if all members of the team compute the same result
Kokkos::View<bool*> intraTeamSentinelView("intraTeamSameResult", numTeams);
// use CTAD for functor
TestFunctorA fnc(dataView, targetVal, distancesView, intraTeamSentinelView,
apiId);
Kokkos::parallel_for(policy, fnc);
// -----------------------------------------------
// check against std
// -----------------------------------------------
auto dataViewAfterOp_h = create_host_space_copy(dataView);
auto distancesView_h = create_host_space_copy(distancesView);
auto intraTeamSentinelView_h = create_host_space_copy(intraTeamSentinelView);
for (std::size_t i = 0; i < dataViewAfterOp_h.extent(0); ++i) {
auto myRow = Kokkos::subview(dataView_h, i, Kokkos::ALL());
auto stdIt = std::remove(KE::begin(myRow), KE::end(myRow), targetVal);
const std::size_t stdDistance = KE::distance(KE::begin(myRow), stdIt);
ASSERT_EQ(distancesView_h(i), stdDistance);
ASSERT_EQ(distancesView_h(i), numCols - perRowRealCount[i]);
for (std::size_t j = 0; j < distancesView_h(i); ++j) {
ASSERT_EQ(dataViewAfterOp_h(i, j), dataView_h(i, j));
}
ASSERT_TRUE(intraTeamSentinelView_h(i));
}
}
template <class LayoutTag, class ValueType>
void run_all_scenarios() {
for (int numTeams : teamSizesToTest) {
for (const auto& numCols : {0, 1, 2, 13, 101, 1444, 8113}) {
for (int apiId : {0, 1}) {
test_A<LayoutTag, ValueType>(numTeams, numCols, apiId);
}
}
}
}
TEST(std_algorithms_remove_team_test, test) {
run_all_scenarios<DynamicTag, double>();
run_all_scenarios<StridedTwoRowsTag, int>();
run_all_scenarios<StridedThreeRowsTag, unsigned>();
}
} // namespace TeamRemove
} // namespace stdalgos
} // namespace Test