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rLAMMPS lammps
Main.cpp
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//@HEADER
// ************************************************************************
//
// Kokkos v. 2.0
// Copyright (2014) Sandia Corporation
//
// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
// 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 SANDIA CORPORATION "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
// 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 H. Carter Edwards (hcedwar@sandia.gov)
//
// ************************************************************************
//@HEADER
#include <utility>
#include <iostream>
#include <Kokkos_Core.hpp>
#include <BoxElemPart.hpp>
namespace
Kokkos
{
namespace
Example
{
template
<
class
>
void
test_fixture
();
}
}
int
test_box
(
const
size_t
global_size
,
const
size_t
global_box
[][
2
]
,
const
bool
print_verbose
)
{
size_t
global_count
=
0
;
size_t
global_max
=
0
;
size_t
global_min
=
Kokkos
::
Example
::
box_count
(
global_box
);
size_t
global_box_max
[
3
][
2
]
=
{
{
0
,
0
}
,
{
0
,
0
}
,
{
0
,
0
}
};
size_t
global_box_min
[
3
][
2
]
=
{
{
0
,
global_box
[
0
][
1
]
}
,
{
0
,
global_box
[
1
][
1
]
}
,
{
0
,
global_box
[
2
][
1
]
}
};
size_t
intersect_error
=
0
;
size_t
neighbor_max
=
0
;
for
(
size_t
global_rank
=
0
;
global_rank
<
global_size
;
++
global_rank
)
{
size_t
box
[
3
][
2
]
=
{
{
0
,
global_box
[
0
][
1
]
}
,
{
0
,
global_box
[
1
][
1
]
}
,
{
0
,
global_box
[
2
][
1
]
}
};
size_t
ghost_box
[
3
][
2
]
;
size_t
neighbor_count
=
0
;
Kokkos
::
Example
::
box_partition
(
global_size
,
global_rank
,
global_box
,
box
);
Kokkos
::
Example
::
box_ghost_layer
(
global_box
,
box
,
1
,
ghost_box
);
{
const
size_t
n
=
Kokkos
::
Example
::
box_count
(
box
);
for
(
int
i
=
0
;
i
<
3
;
++
i
)
{
if
(
(
box
[
i
][
1
]
-
box
[
i
][
0
]
)
<
(
global_box_min
[
i
][
1
]
-
global_box_min
[
i
][
0
]
)
)
{
global_box_min
[
i
][
0
]
=
box
[
i
][
0
]
;
global_box_min
[
i
][
1
]
=
box
[
i
][
1
]
;
}
if
(
(
box
[
i
][
1
]
-
box
[
i
][
0
]
)
>
(
global_box_max
[
i
][
1
]
-
global_box_max
[
i
][
0
]
)
)
{
global_box_max
[
i
][
0
]
=
box
[
i
][
0
]
;
global_box_max
[
i
][
1
]
=
box
[
i
][
1
]
;
}
}
global_max
=
std
::
max
(
global_max
,
n
);
global_min
=
std
::
min
(
global_min
,
n
);
global_count
+=
n
;
}
for
(
size_t
other_rank
=
0
;
other_rank
<
global_size
;
++
other_rank
)
{
if
(
other_rank
==
global_rank
)
continue
;
size_t
other_box
[
3
][
2
]
=
{
{
0
,
global_box
[
0
][
1
]
}
,
{
0
,
global_box
[
1
][
1
]
}
,
{
0
,
global_box
[
2
][
1
]
}
};
size_t
intersect_box
[
3
][
2
]
;
Kokkos
::
Example
::
box_partition
(
global_size
,
other_rank
,
global_box
,
other_box
);
Kokkos
::
Example
::
box_intersect
(
intersect_box
,
box
,
other_box
);
const
size_t
n
=
Kokkos
::
Example
::
box_count
(
intersect_box
);
intersect_error
+=
n
;
Kokkos
::
Example
::
box_intersect
(
intersect_box
,
ghost_box
,
other_box
);
neighbor_count
+=
Kokkos
::
Example
::
box_count
(
intersect_box
)
?
1
:
0
;
if
(
n
)
{
std
::
cout
<<
"box partition intersection error"
<<
std
::
endl
;
std
::
cout
<<
"box = {"
<<
" [ "
<<
box
[
0
][
0
]
<<
" , "
<<
box
[
0
][
1
]
<<
" )"
<<
" [ "
<<
box
[
1
][
0
]
<<
" , "
<<
box
[
1
][
1
]
<<
" )"
<<
" [ "
<<
box
[
2
][
0
]
<<
" , "
<<
box
[
2
][
1
]
<<
" )"
<<
" }"
<<
std
::
endl
;
std
::
cout
<<
"other_box = {"
<<
" [ "
<<
other_box
[
0
][
0
]
<<
" , "
<<
other_box
[
0
][
1
]
<<
" )"
<<
" [ "
<<
other_box
[
1
][
0
]
<<
" , "
<<
other_box
[
1
][
1
]
<<
" )"
<<
" [ "
<<
other_box
[
2
][
0
]
<<
" , "
<<
other_box
[
2
][
1
]
<<
" )"
<<
" }"
<<
std
::
endl
;
return
0
;
}
}
neighbor_max
=
std
::
max
(
neighbor_max
,
neighbor_count
);
}
if
(
print_verbose
)
{
std
::
cout
<<
"global_part = "
<<
global_size
<<
std
::
endl
;
std
::
cout
<<
"global_box = { "
<<
" [ "
<<
global_box
[
0
][
0
]
<<
" .. "
<<
global_box
[
0
][
1
]
<<
" ) X"
<<
" [ "
<<
global_box
[
1
][
0
]
<<
" .. "
<<
global_box
[
1
][
1
]
<<
" ) X"
<<
" [ "
<<
global_box
[
2
][
0
]
<<
" .. "
<<
global_box
[
2
][
1
]
<<
" )"
<<
" }"
<<
std
::
endl
;
std
::
cout
<<
"count( global_box ) = "
<<
Kokkos
::
Example
::
box_count
(
global_box
)
<<
std
::
endl
;
std
::
cout
<<
"sum partition( global_box ) = "
<<
global_count
<<
std
::
endl
;
std
::
cout
<<
"avg partition( global_box ) = "
<<
size_t
(
double
(
global_count
)
/
double
(
global_size
))
<<
std
::
endl
;
std
::
cout
<<
"min partition( global_box ) = "
<<
global_min
<<
std
::
endl
;
std
::
cout
<<
"min part X ( global_box ) = [ "
<<
global_box_min
[
0
][
0
]
<<
" .. "
<<
global_box_min
[
0
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"min part Y ( global_box ) = [ "
<<
global_box_min
[
1
][
0
]
<<
" .. "
<<
global_box_min
[
1
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"min part Z ( global_box ) = [ "
<<
global_box_min
[
2
][
0
]
<<
" .. "
<<
global_box_min
[
2
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"max partition( global_box ) = "
<<
global_max
<<
std
::
endl
;
std
::
cout
<<
"max part X ( global_box ) = [ "
<<
global_box_max
[
0
][
0
]
<<
" .. "
<<
global_box_max
[
0
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"max part Y ( global_box ) = [ "
<<
global_box_max
[
1
][
0
]
<<
" .. "
<<
global_box_max
[
1
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"max part Z ( global_box ) = [ "
<<
global_box_max
[
2
][
0
]
<<
" .. "
<<
global_box_max
[
2
][
1
]
<<
" )"
<<
std
::
endl
;
std
::
cout
<<
"sum intersect( global_box ) = "
<<
intersect_error
<<
std
::
endl
;
std
::
cout
<<
"max neighbor = "
<<
neighbor_max
<<
std
::
endl
;
}
return
neighbor_max
;
}
void
test_elem
()
{
const
Kokkos
::
Example
::
BoxElemPart
::
Decompose
decompose
=
Kokkos
::
Example
::
BoxElemPart
::
DecomposeElem
;
// DecomposeElem | DecomposeNode ;
const
size_t
global_size
=
256
;
const
size_t
global_nx
=
100
;
const
size_t
global_ny
=
120
;
const
size_t
global_nz
=
140
;
double
node_count_avg
=
0
;
size_t
node_count_max
=
0
;
size_t
node_count_min
=
(
global_nx
+
1
)
*
(
global_ny
+
1
)
*
(
global_nz
+
1
);
double
elem_count_avg
=
0
;
size_t
elem_count_max
=
0
;
size_t
elem_count_min
=
global_nx
*
global_ny
*
global_nz
;
double
recv_count_avg
=
0
;
size_t
recv_count_max
=
0
;
size_t
recv_count_min
=
global_size
;
double
send_count_avg
=
0
;
size_t
send_count_max
=
0
;
size_t
send_count_min
=
global_size
;
for
(
size_t
r
=
0
;
r
<
global_size
;
++
r
)
{
const
Kokkos
::
Example
::
BoxElemPart
fixture
(
Kokkos
::
Example
::
BoxElemPart
::
ElemLinear
,
decompose
,
global_size
,
r
,
global_nx
,
global_ny
,
global_nz
);
// Print a sample:
// if ( r == global_size * 2 / 3 ) fixture.print( std::cout );
// Verify recv/send alignment:
{
size_t
recv_lid
=
fixture
.
owns_node_count
();
for
(
size_t
i
=
0
;
i
<
fixture
.
recv_node_msg_count
()
;
++
i
)
{
const
size_t
recv_rank
=
fixture
.
recv_node_rank
(
i
);
const
size_t
recv_count
=
fixture
.
recv_node_count
(
i
);
const
Kokkos
::
Example
::
BoxElemPart
other_fixture
(
Kokkos
::
Example
::
BoxElemPart
::
ElemLinear
,
decompose
,
global_size
,
recv_rank
,
global_nx
,
global_ny
,
global_nz
);
size_t
send_item
=
0
;
size_t
j
=
0
;
while
(
j
<
other_fixture
.
send_node_msg_count
()
&&
other_fixture
.
send_node_rank
(
j
)
!=
r
)
{
send_item
+=
other_fixture
.
send_node_count
(
j
);
++
j
;
}
if
(
recv_count
!=
other_fixture
.
send_node_count
(
j
)
)
{
std
::
cout
<<
"Error P["
<<
r
<<
"].recv("
<<
recv_count
<<
") != "
<<
"P["
<<
recv_rank
<<
"].send("
<<
other_fixture
.
send_node_count
(
j
)
<<
")"
<<
std
::
endl
;
}
else
{
for
(
size_t
k
=
0
;
k
<
recv_count
;
++
k
,
++
send_item
,
++
recv_lid
)
{
const
size_t
send_lid
=
other_fixture
.
send_node_id
(
send_item
);
size_t
recv_coord
[
3
]
,
send_coord
[
3
]
;
fixture
.
local_node_coord
(
recv_lid
,
recv_coord
);
other_fixture
.
local_node_coord
(
send_lid
,
send_coord
);
if
(
recv_coord
[
0
]
!=
send_coord
[
0
]
||
recv_coord
[
1
]
!=
send_coord
[
1
]
||
recv_coord
[
2
]
!=
send_coord
[
2
]
)
{
std
::
cout
<<
"Error P["
<<
r
<<
"].recv["
<<
recv_lid
<<
"]{ "
<<
recv_coord
[
0
]
<<
" , "
<<
recv_coord
[
1
]
<<
" , "
<<
recv_coord
[
2
]
<<
" } != "
<<
"P["
<<
recv_rank
<<
"].send["
<<
send_lid
<<
"]{ "
<<
send_coord
[
0
]
<<
" , "
<<
send_coord
[
1
]
<<
" , "
<<
send_coord
[
2
]
<<
" }"
<<
std
::
endl
;
}
}
}
}
}
node_count_avg
+=
fixture
.
owns_node_count
();
elem_count_avg
+=
fixture
.
uses_elem_count
();
recv_count_avg
+=
fixture
.
recv_node_msg_count
();
send_count_avg
+=
fixture
.
send_node_msg_count
();
elem_count_min
=
std
::
min
(
(
size_t
)
fixture
.
uses_elem_count
()
,
elem_count_min
);
elem_count_max
=
std
::
max
(
(
size_t
)
fixture
.
uses_elem_count
()
,
elem_count_max
);
node_count_min
=
std
::
min
(
(
size_t
)
fixture
.
owns_node_count
()
,
node_count_min
);
node_count_max
=
std
::
max
(
(
size_t
)
fixture
.
owns_node_count
()
,
node_count_max
);
recv_count_max
=
std
::
max
(
(
size_t
)
fixture
.
recv_node_msg_count
()
,
recv_count_max
);
recv_count_min
=
std
::
min
(
(
size_t
)
fixture
.
recv_node_msg_count
()
,
recv_count_min
);
send_count_max
=
std
::
max
(
(
size_t
)
fixture
.
send_node_msg_count
()
,
send_count_max
);
send_count_min
=
std
::
min
(
(
size_t
)
fixture
.
send_node_msg_count
()
,
send_count_min
);
}
node_count_avg
/=
double
(
global_size
);
elem_count_avg
/=
double
(
global_size
);
recv_count_avg
/=
double
(
global_size
);
send_count_avg
/=
double
(
global_size
);
std
::
cout
<<
"Elem min("
<<
elem_count_min
<<
") avg("
<<
elem_count_avg
<<
") max("
<<
elem_count_max
<<
") "
<<
std
::
endl
<<
"Node min("
<<
node_count_min
<<
") avg("
<<
node_count_avg
<<
") max("
<<
node_count_max
<<
") "
<<
std
::
endl
<<
"Recv min("
<<
recv_count_min
<<
") avg("
<<
recv_count_avg
<<
") max("
<<
recv_count_max
<<
") "
<<
std
::
endl
<<
"Send min("
<<
send_count_min
<<
") avg("
<<
send_count_avg
<<
") max("
<<
send_count_max
<<
") "
<<
std
::
endl
;
}
int
main
()
{
for
(
int
i
=
1
;
i
<=
32
;
++
i
)
{
const
size_t
global_size
=
16
*
i
;
const
size_t
global_box
[
3
][
2
]
=
{
{
0
,
65
}
,
{
0
,
65
}
,
{
0
,
65
}
};
if
(
30
<
test_box
(
global_size
,
global_box
,
false
)
)
{
test_box
(
global_size
,
global_box
,
true
);
}
}
// test_elem();
{
std
::
cout
<<
"test_fixture< Host >"
<<
std
::
endl
;
Kokkos
::
HostSpace
::
execution_space
::
initialize
(
1
);
Kokkos
::
Example
::
test_fixture
<
Kokkos
::
HostSpace
::
execution_space
>
();
Kokkos
::
HostSpace
::
execution_space
::
finalize
();
}
#if defined( KOKKOS_HAVE_CUDA )
{
std
::
cout
<<
"test_fixture< Cuda >"
<<
std
::
endl
;
Kokkos
::
HostSpace
::
execution_space
::
initialize
();
Kokkos
::
Cuda
::
initialize
(
Kokkos
::
Cuda
::
SelectDevice
(
0
)
);
Kokkos
::
Example
::
test_fixture
<
Kokkos
::
Cuda
>
();
Kokkos
::
Cuda
::
finalize
();
Kokkos
::
HostSpace
::
execution_space
::
finalize
();
}
#endif
}
Event Timeline
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