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Update Kokkos library in LAMMPS to v4.2

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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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lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTeamPartitionCopy.cpp Normal file
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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 TeamPartitionCopy {
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 a, int b, std::size_t seedIn) : m_dist(a, b) {
m_gen.seed(seedIn);
}
int operator()() { return m_dist(m_gen); }
};
template <class ValueType>
struct GreaterThanValueFunctor {
ValueType m_val;
KOKKOS_INLINE_FUNCTION
GreaterThanValueFunctor(ValueType val) : m_val(val) {}
KOKKOS_INLINE_FUNCTION
bool operator()(ValueType val) const { return (val > m_val); }
};
template <class SourceViewType, class DestViewType, class DistancesViewType,
class IntraTeamSentinelView, class ValueType>
struct TestFunctorA {
SourceViewType m_sourceView;
DestViewType m_destTrueView;
DestViewType m_destFalseView;
DistancesViewType m_distancesTrueView;
DistancesViewType m_distancesFalseView;
IntraTeamSentinelView m_intraTeamSentinelView;
ValueType m_threshold;
int m_apiPick;
TestFunctorA(const SourceViewType sourceView, const DestViewType destTrueView,
const DestViewType destFalseView,
const DistancesViewType distancesTrueView,
const DistancesViewType distancesFalseView,
const IntraTeamSentinelView intraTeamSentinelView,
ValueType threshold, int apiPick)
: m_sourceView(sourceView),
m_destTrueView(destTrueView),
m_destFalseView(destFalseView),
m_distancesTrueView(distancesTrueView),
m_distancesFalseView(distancesFalseView),
m_intraTeamSentinelView(intraTeamSentinelView),
m_threshold(threshold),
m_apiPick(apiPick) {}
template <class MemberType>
KOKKOS_INLINE_FUNCTION void operator()(const MemberType& member) const {
const auto myRowIndex = member.league_rank();
auto myRowViewFrom =
Kokkos::subview(m_sourceView, myRowIndex, Kokkos::ALL());
auto myRowViewDestTrue =
Kokkos::subview(m_destTrueView, myRowIndex, Kokkos::ALL());
auto myRowViewDestFalse =
Kokkos::subview(m_destFalseView, myRowIndex, Kokkos::ALL());
ptrdiff_t resultDist1 = 0;
ptrdiff_t resultDist2 = 0;
GreaterThanValueFunctor predicate(m_threshold);
if (m_apiPick == 0) {
const auto result = KE::partition_copy(
member, KE::cbegin(myRowViewFrom), KE::cend(myRowViewFrom),
KE::begin(myRowViewDestTrue), KE::begin(myRowViewDestFalse),
predicate);
resultDist1 = KE::distance(KE::begin(myRowViewDestTrue), result.first);
resultDist2 = KE::distance(KE::begin(myRowViewDestFalse), result.second);
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_distancesTrueView(myRowIndex) = resultDist1;
m_distancesFalseView(myRowIndex) = resultDist2;
});
}
else if (m_apiPick == 1) {
const auto result =
KE::partition_copy(member, myRowViewFrom, myRowViewDestTrue,
myRowViewDestFalse, predicate);
resultDist1 = KE::distance(KE::begin(myRowViewDestTrue), result.first);
resultDist2 = KE::distance(KE::begin(myRowViewDestFalse), result.second);
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_distancesTrueView(myRowIndex) = resultDist1;
m_distancesFalseView(myRowIndex) = resultDist2;
});
}
// store result of checking if all members have their local
// values matching the one stored in m_distancesView
member.team_barrier();
const bool intraTeamCheck1 = team_members_have_matching_result(
member, resultDist1, m_distancesTrueView(myRowIndex));
const bool intraTeamCheck2 = team_members_have_matching_result(
member, resultDist2, m_distancesFalseView(myRowIndex));
Kokkos::single(Kokkos::PerTeam(member), [=, *this]() {
m_intraTeamSentinelView(myRowIndex) = intraTeamCheck1 && intraTeamCheck2;
});
}
};
template <class LayoutTag, class ValueType>
void test_A(std::size_t numTeams, std::size_t numCols, int apiId,
const std::string& sIn) {
/* description:
use a rank-2 view randomly filled with values in a range (a,b)
and run a team-level partition_copy with predicate = IsGreaterThanValue
where threshold is set to a number larger than b above
*/
const auto threshold = static_cast<ValueType>(1103);
const auto valueForSureGreater = static_cast<ValueType>(2103);
const auto valueForSureSmaller = static_cast<ValueType>(111);
// -----------------------------------------------
// prepare data
// -----------------------------------------------
// construct in memory space associated with default exespace
auto sourceView =
create_view<ValueType>(LayoutTag{}, numTeams, numCols, "sourceView");
// sourceView might not deep copyable (e.g. strided layout) so to
// randomize it, we make a new view that is for sure deep copyable,
// modify it on the host, deep copy to device and then launch
// a kernel to copy to sourceView
auto sourceView_dc =
create_deep_copyable_compatible_view_with_same_extent(sourceView);
auto sourceView_dc_h = create_mirror_view(Kokkos::HostSpace(), sourceView_dc);
if (sIn == "trivialEmpty") {
// do nothing
}
else if (sIn == "allTrue") {
// randomly fill with values greater than threshold
// so that all elements in each row satisfy the predicate
// so this counts as being partitioned
Kokkos::Random_XorShift64_Pool<Kokkos::DefaultHostExecutionSpace> pool(
452377);
Kokkos::fill_random(sourceView_dc_h, pool, ValueType(2001),
ValueType(2501));
}
else if (sIn == "allFalse") {
// randomly fill the view with values smaller than threshold
// and even in this case each row counts as partitioned
Kokkos::Random_XorShift64_Pool<Kokkos::DefaultHostExecutionSpace> pool(
452377);
Kokkos::fill_random(sourceView_dc_h, pool, ValueType(0), ValueType(101));
}
else if (sIn == "random") {
// randomly select a location and make all values before that
// larger than threshol and all values after to be smaller than threshold
// so that this picked location does partition the range
UnifDist<int> indexProducer(0, numCols - 1, 3432779);
for (std::size_t i = 0; i < sourceView_dc_h.extent(0); ++i) {
const std::size_t a = indexProducer();
for (std::size_t j = 0; j < a; ++j) {
sourceView_dc_h(i, j) = valueForSureGreater;
}
for (std::size_t j = a; j < numCols; ++j) {
sourceView_dc_h(i, j) = valueForSureSmaller;
}
}
}
// copy to sourceView_dc and then to sourceView
Kokkos::deep_copy(sourceView_dc, sourceView_dc_h);
// use CTAD
CopyFunctorRank2 F1(sourceView_dc, sourceView);
Kokkos::parallel_for("copy", sourceView.extent(0) * sourceView.extent(1), F1);
// -----------------------------------------------
// launch kokkos kernel
// -----------------------------------------------
using space_t = Kokkos::DefaultExecutionSpace;
Kokkos::TeamPolicy<space_t> policy(numTeams, Kokkos::AUTO());
// create the destination views
Kokkos::View<ValueType**> destTrueView("destViewTrue", numTeams, numCols);
Kokkos::View<ValueType**> destFalseView("destViewFalse", numTeams, numCols);
// to verify that things work, each team stores the result
// and then we check that these match what we expect
Kokkos::View<std::size_t*> distancesTrueView("distancesTrue", numTeams);
Kokkos::View<std::size_t*> distancesFalseView("distancesFalse", 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(sourceView, destTrueView, destFalseView, distancesTrueView,
distancesFalseView, intraTeamSentinelView, threshold, apiId);
Kokkos::parallel_for(policy, fnc);
// -----------------------------------------------
// check
// -----------------------------------------------
auto distancesTrueView_h = create_host_space_copy(distancesTrueView);
auto distancesFalseView_h = create_host_space_copy(distancesFalseView);
auto sourceViewAfterOp_h = create_host_space_copy(sourceView);
auto destTrueViewAfterOp_h = create_host_space_copy(destTrueView);
auto destFalseViewAfterOp_h = create_host_space_copy(destFalseView);
auto intraTeamSentinelView_h = create_host_space_copy(intraTeamSentinelView);
Kokkos::View<ValueType**, Kokkos::HostSpace> stdDestTrueView(
"stdDestTrueView", numTeams, numCols);
Kokkos::View<ValueType**, Kokkos::HostSpace> stdDestFalseView(
"stdDestFalseView", numTeams, numCols);
GreaterThanValueFunctor predicate(threshold);
for (std::size_t i = 0; i < sourceView_dc_h.extent(0); ++i) {
auto myRowSource = Kokkos::subview(sourceView_dc_h, i, Kokkos::ALL());
auto myRowDestTrue = Kokkos::subview(stdDestTrueView, i, Kokkos::ALL());
auto myRowDestFalse = Kokkos::subview(stdDestFalseView, i, Kokkos::ALL());
const auto stdResult = std::partition_copy(
KE::cbegin(myRowSource), KE::cend(myRowSource),
KE::begin(myRowDestTrue), KE::begin(myRowDestFalse), predicate);
// our result must match std
const std::size_t stdDistanceTrue =
KE::distance(KE::begin(myRowDestTrue), stdResult.first);
const std::size_t stdDistanceFalse =
KE::distance(KE::begin(myRowDestFalse), stdResult.second);
ASSERT_EQ(stdDistanceTrue, distancesTrueView_h(i));
ASSERT_EQ(stdDistanceFalse, distancesFalseView_h(i));
ASSERT_TRUE(intraTeamSentinelView_h(i));
}
expect_equal_host_views(sourceView_dc_h, sourceViewAfterOp_h);
expect_equal_host_views(destTrueViewAfterOp_h, stdDestTrueView);
expect_equal_host_views(destFalseViewAfterOp_h, stdDestFalseView);
}
template <class LayoutTag, class ValueType>
void run_all_scenarios(const std::string& name, const std::vector<int>& cols) {
for (int numTeams : teamSizesToTest) {
for (const auto& numCols : cols) {
for (int apiId : {0, 1}) {
test_A<LayoutTag, ValueType>(numTeams, numCols, apiId, name);
}
}
}
}
TEST(std_algorithms_partition_copy_team_test, empty) {
const std::string name = "trivialEmpty";
const std::vector<int> cols = {0};
run_all_scenarios<DynamicTag, double>(name, cols);
run_all_scenarios<StridedTwoRowsTag, double>(name, cols);
run_all_scenarios<StridedThreeRowsTag, int>(name, cols);
}
TEST(std_algorithms_partition_copy_team_test, all_true) {
const std::string name = "allTrue";
const std::vector<int> cols = {13, 101, 1444, 5153};
run_all_scenarios<DynamicTag, double>(name, cols);
run_all_scenarios<StridedTwoRowsTag, double>(name, cols);
run_all_scenarios<StridedThreeRowsTag, int>(name, cols);
}
TEST(std_algorithms_partition_copy_team_test, all_false) {
const std::string name = "allFalse";
const std::vector<int> cols = {13, 101, 1444, 5153};
run_all_scenarios<DynamicTag, double>(name, cols);
run_all_scenarios<StridedTwoRowsTag, double>(name, cols);
run_all_scenarios<StridedThreeRowsTag, int>(name, cols);
}
TEST(std_algorithms_partition_copy_team_test, random) {
const std::string name = "random";
const std::vector<int> cols = {13, 101, 1444, 5153};
run_all_scenarios<DynamicTag, double>(name, cols);
run_all_scenarios<StridedTwoRowsTag, double>(name, cols);
run_all_scenarios<StridedThreeRowsTag, int>(name, cols);
}
} // namespace TeamPartitionCopy
} // namespace stdalgos
} // namespace Test