Update Kokkos library in LAMMPS to v3.0

This commit is contained in:
Stan Moore
2020-03-25 14:08:39 -06:00
parent 0252d8c210
commit 60864e38d1
2169 changed files with 121406 additions and 126492 deletions

View File

@ -2,10 +2,11 @@
//@HEADER
// ************************************************************************
//
// Kokkos v. 2.0
// Copyright (2014) Sandia Corporation
// Kokkos v. 3.0
// Copyright (2020) National Technology & Engineering
// Solutions of Sandia, LLC (NTESS).
//
// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
// 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
@ -23,10 +24,10 @@
// contributors may be used to endorse or promote products derived from
// this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
// 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 SANDIA CORPORATION OR THE
// 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
@ -52,233 +53,244 @@
namespace Test {
namespace TestStaticCrsGraph {
template< class Space >
void run_test_graph()
{
typedef Kokkos::StaticCrsGraph< unsigned , Space > dView ;
typedef typename dView::HostMirror hView ;
template <class Space>
void run_test_graph() {
typedef Kokkos::StaticCrsGraph<unsigned, Space> dView;
typedef typename dView::HostMirror hView;
const unsigned LENGTH = 1000 ;
dView dx ;
hView hx ;
const unsigned LENGTH = 1000;
dView dx;
hView hx;
std::vector< std::vector< int > > graph( LENGTH );
std::vector<std::vector<int> > graph(LENGTH);
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
graph[i].reserve(8);
for ( size_t j = 0 ; j < 8 ; ++j ) {
graph[i].push_back( i + j * 3 );
for (size_t j = 0; j < 8; ++j) {
graph[i].push_back(i + j * 3);
}
}
dx = Kokkos::create_staticcrsgraph<dView>( "dx" , graph );
hx = Kokkos::create_mirror( dx );
dx = Kokkos::create_staticcrsgraph<dView>("dx", graph);
hx = Kokkos::create_mirror(dx);
ASSERT_EQ( hx.row_map.extent(0) - 1 , LENGTH );
ASSERT_EQ(hx.row_map.extent(0) - 1, LENGTH);
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
const size_t begin = hx.row_map[i];
const size_t n = hx.row_map[i+1] - begin ;
ASSERT_EQ( n , graph[i].size() );
for ( size_t j = 0 ; j < n ; ++j ) {
ASSERT_EQ( (int) hx.entries( j + begin ) , graph[i][j] );
const size_t n = hx.row_map[i + 1] - begin;
ASSERT_EQ(n, graph[i].size());
for (size_t j = 0; j < n; ++j) {
ASSERT_EQ((int)hx.entries(j + begin), graph[i][j]);
}
}
// Test row view access
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
auto rowView = hx.rowConst(i);
ASSERT_EQ( rowView.length, graph[i].size() );
for ( size_t j = 0 ; j < rowView.length ; ++j ) {
ASSERT_EQ( rowView.colidx( j ) , graph[i][j] );
ASSERT_EQ( rowView( j ) , graph[i][j] );
ASSERT_EQ(rowView.length, graph[i].size());
for (size_t j = 0; j < rowView.length; ++j) {
ASSERT_EQ(rowView.colidx(j), graph[i][j]);
ASSERT_EQ(rowView(j), graph[i][j]);
}
}
}
template< class Space >
void run_test_graph2()
{
typedef Kokkos::StaticCrsGraph< unsigned[3] , Space > dView ;
typedef typename dView::HostMirror hView ;
template <class Space>
void run_test_graph2() {
typedef Kokkos::StaticCrsGraph<unsigned[3], Space> dView;
typedef typename dView::HostMirror hView;
const unsigned LENGTH = 10 ;
const unsigned LENGTH = 10;
std::vector< size_t > sizes( LENGTH );
std::vector<size_t> sizes(LENGTH);
size_t total_length = 0 ;
size_t total_length = 0;
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
total_length += ( sizes[i] = 6 + i % 4 );
for (size_t i = 0; i < LENGTH; ++i) {
total_length += (sizes[i] = 6 + i % 4);
}
dView dx = Kokkos::create_staticcrsgraph<dView>( "test" , sizes );
hView hx = Kokkos::create_mirror( dx );
hView mx = Kokkos::create_mirror( dx );
dView dx = Kokkos::create_staticcrsgraph<dView>("test", sizes);
hView hx = Kokkos::create_mirror(dx);
hView mx = Kokkos::create_mirror(dx);
ASSERT_EQ( (size_t) dx.row_map.extent(0) , (size_t) LENGTH + 1 );
ASSERT_EQ( (size_t) hx.row_map.extent(0) , (size_t) LENGTH + 1 );
ASSERT_EQ( (size_t) mx.row_map.extent(0) , (size_t) LENGTH + 1 );
ASSERT_EQ((size_t)dx.row_map.extent(0), (size_t)LENGTH + 1);
ASSERT_EQ((size_t)hx.row_map.extent(0), (size_t)LENGTH + 1);
ASSERT_EQ((size_t)mx.row_map.extent(0), (size_t)LENGTH + 1);
ASSERT_EQ( (size_t) dx.entries.extent(0) , (size_t) total_length );
ASSERT_EQ( (size_t) hx.entries.extent(0) , (size_t) total_length );
ASSERT_EQ( (size_t) mx.entries.extent(0) , (size_t) total_length );
ASSERT_EQ((size_t)dx.entries.extent(0), (size_t)total_length);
ASSERT_EQ((size_t)hx.entries.extent(0), (size_t)total_length);
ASSERT_EQ((size_t)mx.entries.extent(0), (size_t)total_length);
ASSERT_EQ( (size_t) dx.entries.extent(1) , (size_t) 3 );
ASSERT_EQ( (size_t) hx.entries.extent(1) , (size_t) 3 );
ASSERT_EQ( (size_t) mx.entries.extent(1) , (size_t) 3 );
ASSERT_EQ((size_t)dx.entries.extent(1), (size_t)3);
ASSERT_EQ((size_t)hx.entries.extent(1), (size_t)3);
ASSERT_EQ((size_t)mx.entries.extent(1), (size_t)3);
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
const size_t entry_begin = hx.row_map[i];
const size_t entry_end = hx.row_map[i+1];
for ( size_t j = entry_begin ; j < entry_end ; ++j ) {
hx.entries(j,0) = j + 1 ;
hx.entries(j,1) = j + 2 ;
hx.entries(j,2) = j + 3 ;
const size_t entry_end = hx.row_map[i + 1];
for (size_t j = entry_begin; j < entry_end; ++j) {
hx.entries(j, 0) = j + 1;
hx.entries(j, 1) = j + 2;
hx.entries(j, 2) = j + 3;
}
}
Kokkos::deep_copy( dx.entries , hx.entries );
Kokkos::deep_copy( mx.entries , dx.entries );
Kokkos::deep_copy(dx.entries, hx.entries);
Kokkos::deep_copy(mx.entries, dx.entries);
ASSERT_EQ( mx.row_map.extent(0) , (size_t) LENGTH + 1 );
ASSERT_EQ(mx.row_map.extent(0), (size_t)LENGTH + 1);
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
const size_t entry_begin = mx.row_map[i];
const size_t entry_end = mx.row_map[i+1];
ASSERT_EQ( ( entry_end - entry_begin ) , sizes[i] );
for ( size_t j = entry_begin ; j < entry_end ; ++j ) {
ASSERT_EQ( (size_t) mx.entries( j , 0 ) , ( j + 1 ) );
ASSERT_EQ( (size_t) mx.entries( j , 1 ) , ( j + 2 ) );
ASSERT_EQ( (size_t) mx.entries( j , 2 ) , ( j + 3 ) );
const size_t entry_end = mx.row_map[i + 1];
ASSERT_EQ((entry_end - entry_begin), sizes[i]);
for (size_t j = entry_begin; j < entry_end; ++j) {
ASSERT_EQ((size_t)mx.entries(j, 0), (j + 1));
ASSERT_EQ((size_t)mx.entries(j, 1), (j + 2));
ASSERT_EQ((size_t)mx.entries(j, 2), (j + 3));
}
}
}
template< class Space >
void run_test_graph3(size_t B, size_t N)
{
template <class Space>
void run_test_graph3(size_t B, size_t N) {
srand(10310);
typedef Kokkos::StaticCrsGraph< int , Space > dView ;
typedef typename dView::HostMirror hView ;
typedef Kokkos::StaticCrsGraph<int, Space> dView;
typedef typename dView::HostMirror hView;
const unsigned LENGTH = 2000 ;
const unsigned LENGTH = 2000;
std::vector< size_t > sizes( LENGTH );
std::vector<size_t> sizes(LENGTH);
size_t total_length = 0 ;
size_t total_length = 0;
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
sizes[i] = rand()%1000;
for (size_t i = 0; i < LENGTH; ++i) {
sizes[i] = rand() % 1000;
}
sizes[1] = N;
sizes[1] = N;
sizes[1998] = N;
for ( size_t i = 0 ; i < LENGTH ; ++i ) {
for (size_t i = 0; i < LENGTH; ++i) {
total_length += sizes[i];
}
int C = 0;
dView dx = Kokkos::create_staticcrsgraph<dView>( "test" , sizes );
dx.create_block_partitioning(B,C);
hView hx = Kokkos::create_mirror( dx );
int C = 0;
dView dx = Kokkos::create_staticcrsgraph<dView>("test", sizes);
dx.create_block_partitioning(B, C);
hView hx = Kokkos::create_mirror(dx);
for( size_t i = 0; i<B; i++) {
for (size_t i = 0; i < B; i++) {
size_t ne = 0;
for(size_t j = hx.row_block_offsets(i); j<hx.row_block_offsets(i+1); j++)
ne += hx.row_map(j+1)-hx.row_map(j)+C;
for (size_t j = hx.row_block_offsets(i); j < hx.row_block_offsets(i + 1);
j++)
ne += hx.row_map(j + 1) - hx.row_map(j) + C;
ASSERT_FALSE((ne>2*((hx.row_map(hx.numRows())+C*hx.numRows())/B))&&(hx.row_block_offsets(i+1)>hx.row_block_offsets(i)+1));
ASSERT_FALSE(
(ne > 2 * ((hx.row_map(hx.numRows()) + C * hx.numRows()) / B)) &&
(hx.row_block_offsets(i + 1) > hx.row_block_offsets(i) + 1));
}
}
template< class Space >
void run_test_graph4()
{
template <class Space>
void run_test_graph4() {
typedef unsigned ordinal_type;
typedef Kokkos::LayoutRight layout_type;
typedef Space space_type;
typedef Kokkos::MemoryUnmanaged memory_traits_type;
#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
typedef Kokkos::StaticCrsGraph< ordinal_type , layout_type , space_type , ordinal_type , memory_traits_type > dView ;
typedef Kokkos::StaticCrsGraph<ordinal_type, layout_type, space_type,
ordinal_type, memory_traits_type>
dView;
#else
typedef Kokkos::StaticCrsGraph< ordinal_type , layout_type , space_type , memory_traits_type > dView ;
typedef Kokkos::StaticCrsGraph<ordinal_type, layout_type, space_type,
memory_traits_type>
dView;
#endif
typedef typename dView::HostMirror hView ;
typedef typename dView::HostMirror hView;
dView dx ;
dView dx;
// StaticCrsGraph with Unmanaged trait will contain row_map and entries members
// with the Unmanaged memory trait.
// Use of such a StaticCrsGraph requires an allocaton of memory for the unmanaged views
// to wrap.
// StaticCrsGraph with Unmanaged trait will contain row_map and entries
// members with the Unmanaged memory trait. Use of such a StaticCrsGraph
// requires an allocaton of memory for the unmanaged views to wrap.
//
// In this test, a graph (via raw arrays) resides on the host.
// The pointers are wrapped by unmanaged Views.
// To make use of this on the device, managed device Views are created (allocation required),
// and data from the unmanaged host views is deep copied to the device Views
// Unmanaged views of the appropriate type wrap the device data and are assigned to
// their corresponding unmanaged view members of the unmanaged StaticCrsGraph
// The pointers are wrapped by unmanaged Views.
// To make use of this on the device, managed device Views are created
// (allocation required), and data from the unmanaged host views is deep
// copied to the device Views Unmanaged views of the appropriate type wrap the
// device data and are assigned to their corresponding unmanaged view members
// of the unmanaged StaticCrsGraph
// Data types for raw pointers storing StaticCrsGraph info
typedef typename dView::size_type ptr_row_map_type;
typedef typename dView::data_type ptr_entries_type;
const ordinal_type numRows = 8;
const ordinal_type nnz = 24;
ptr_row_map_type ptrRaw[] = {0, 4, 8, 10, 12, 14, 16, 20, 24};
ptr_entries_type indRaw[] = {0, 1, 4, 5, 0, 1, 4, 5, 2, 3, 2, 3, 4, 5, 4, 5, 2, 3, 6, 7, 2, 3, 6, 7};
const ordinal_type nnz = 24;
ptr_row_map_type ptrRaw[] = {0, 4, 8, 10, 12, 14, 16, 20, 24};
ptr_entries_type indRaw[] = {0, 1, 4, 5, 0, 1, 4, 5, 2, 3, 2, 3,
4, 5, 4, 5, 2, 3, 6, 7, 2, 3, 6, 7};
// Wrap pointers in unmanaged host views
typedef typename hView::row_map_type local_row_map_type ;
typedef typename hView::entries_type local_entries_type ;
local_row_map_type unman_row_map( &(ptrRaw[0]) , numRows+1 );
local_entries_type unman_entries( &(indRaw[0]) , nnz );
typedef typename hView::row_map_type local_row_map_type;
typedef typename hView::entries_type local_entries_type;
local_row_map_type unman_row_map(&(ptrRaw[0]), numRows + 1);
local_entries_type unman_entries(&(indRaw[0]), nnz);
hView hx ;
hx = hView( unman_entries, unman_row_map );
hView hx;
hx = hView(unman_entries, unman_row_map);
// Create the device Views for copying the host arrays into
// An allocation is needed on the device for the unmanaged StaticCrsGraph to wrap the pointer
typedef typename Kokkos::View< ptr_row_map_type*, layout_type, space_type > d_row_map_view_type;
typedef typename Kokkos::View< ptr_entries_type*, layout_type, space_type > d_entries_view_type;
// An allocation is needed on the device for the unmanaged StaticCrsGraph to
// wrap the pointer
typedef typename Kokkos::View<ptr_row_map_type*, layout_type, space_type>
d_row_map_view_type;
typedef typename Kokkos::View<ptr_entries_type*, layout_type, space_type>
d_entries_view_type;
d_row_map_view_type tmp_row_map( "tmp_row_map", numRows+1 );
d_entries_view_type tmp_entries( "tmp_entries", nnz );
d_row_map_view_type tmp_row_map("tmp_row_map", numRows + 1);
d_entries_view_type tmp_entries("tmp_entries", nnz);
Kokkos::deep_copy (tmp_row_map, unman_row_map);
Kokkos::deep_copy (tmp_entries, unman_entries);
Kokkos::deep_copy(tmp_row_map, unman_row_map);
Kokkos::deep_copy(tmp_entries, unman_entries);
// Wrap the pointer in unmanaged View and assign to the corresponding StaticCrsGraph member
dx.row_map = typename dView::row_map_type(tmp_row_map.data(), numRows+1);
// Wrap the pointer in unmanaged View and assign to the corresponding
// StaticCrsGraph member
dx.row_map = typename dView::row_map_type(tmp_row_map.data(), numRows + 1);
dx.entries = typename dView::entries_type(tmp_entries.data(), nnz);
ASSERT_TRUE((std::is_same< typename dView::row_map_type::memory_traits , Kokkos::MemoryUnmanaged >::value));
ASSERT_TRUE((std::is_same< typename dView::entries_type::memory_traits , Kokkos::MemoryUnmanaged >::value));
ASSERT_TRUE((std::is_same< typename hView::row_map_type::memory_traits , Kokkos::MemoryUnmanaged >::value));
ASSERT_TRUE((std::is_same< typename hView::entries_type::memory_traits , Kokkos::MemoryUnmanaged >::value));
ASSERT_TRUE((std::is_same<typename dView::row_map_type::memory_traits,
Kokkos::MemoryUnmanaged>::value));
ASSERT_TRUE((std::is_same<typename dView::entries_type::memory_traits,
Kokkos::MemoryUnmanaged>::value));
ASSERT_TRUE((std::is_same<typename hView::row_map_type::memory_traits,
Kokkos::MemoryUnmanaged>::value));
ASSERT_TRUE((std::is_same<typename hView::entries_type::memory_traits,
Kokkos::MemoryUnmanaged>::value));
}
} /* namespace TestStaticCrsGraph */
TEST_F( TEST_CATEGORY , staticcrsgraph )
{
TestStaticCrsGraph::run_test_graph< TEST_EXECSPACE >();
TestStaticCrsGraph::run_test_graph2< TEST_EXECSPACE >();
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(1, 0);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(1, 1000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(1, 10000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(1, 100000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(3, 0);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(3, 1000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(3, 10000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(3, 100000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(75, 0);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(75, 1000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(75, 10000);
TestStaticCrsGraph::run_test_graph3< TEST_EXECSPACE >(75, 100000);
TestStaticCrsGraph::run_test_graph4< TEST_EXECSPACE >();
}
TEST(TEST_CATEGORY, staticcrsgraph) {
TestStaticCrsGraph::run_test_graph<TEST_EXECSPACE>();
TestStaticCrsGraph::run_test_graph2<TEST_EXECSPACE>();
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(1, 0);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(1, 1000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(1, 10000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(1, 100000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(3, 0);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(3, 1000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(3, 10000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(3, 100000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(75, 0);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(75, 1000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(75, 10000);
TestStaticCrsGraph::run_test_graph3<TEST_EXECSPACE>(75, 100000);
TestStaticCrsGraph::run_test_graph4<TEST_EXECSPACE>();
}
} // namespace Test