Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F68660229
neighbor_kokkos.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Jun 28, 09:22
Size
8 KB
Mime Type
text/x-c
Expires
Sun, Jun 30, 09:22 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
18616623
Attached To
rLAMMPS lammps
neighbor_kokkos.cpp
View Options
;
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "neighbor_kokkos.h"
#include "atom.h"
#include "pair.h"
#include "neigh_request.h"
#include "memory.h"
using
namespace
LAMMPS_NS
;
enum
{
NSQ
,
BIN
,
MULTI
};
// also in neigh_list.cpp
/* ---------------------------------------------------------------------- */
NeighborKokkos
::
NeighborKokkos
(
LAMMPS
*
lmp
)
:
Neighbor
(
lmp
)
{
atoms_per_bin
=
16
;
nlist_host
=
0
;
lists_host
=
NULL
;
pair_build_host
=
NULL
;
stencil_create_host
=
NULL
;
nlist_device
=
0
;
lists_device
=
NULL
;
pair_build_device
=
NULL
;
stencil_create_device
=
NULL
;
}
/* ---------------------------------------------------------------------- */
NeighborKokkos
::~
NeighborKokkos
()
{
memory
->
destroy_kokkos
(
k_cutneighsq
,
cutneighsq
);
cutneighsq
=
NULL
;
for
(
int
i
=
0
;
i
<
nlist_host
;
i
++
)
delete
lists_host
[
i
];
delete
[]
lists_host
;
for
(
int
i
=
0
;
i
<
nlist_device
;
i
++
)
delete
lists_device
[
i
];
delete
[]
lists_device
;
delete
[]
pair_build_device
;
delete
[]
pair_build_host
;
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
init
()
{
atomKK
=
(
AtomKokkos
*
)
atom
;
Neighbor
::
init
();
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
init_cutneighsq_kokkos
(
int
n
)
{
memory
->
create_kokkos
(
k_cutneighsq
,
cutneighsq
,
n
+
1
,
n
+
1
,
"neigh:cutneighsq"
);
k_cutneighsq
.
modify
<
LMPHostType
>
();
}
/* ---------------------------------------------------------------------- */
int
NeighborKokkos
::
init_lists_kokkos
()
{
int
i
;
for
(
i
=
0
;
i
<
nlist_host
;
i
++
)
delete
lists_host
[
i
];
delete
[]
lists_host
;
delete
[]
pair_build_host
;
delete
[]
stencil_create_host
;
nlist_host
=
0
;
for
(
i
=
0
;
i
<
nlist_device
;
i
++
)
delete
lists_device
[
i
];
delete
[]
lists_device
;
delete
[]
pair_build_device
;
delete
[]
stencil_create_device
;
nlist_device
=
0
;
nlist
=
0
;
for
(
i
=
0
;
i
<
nrequest
;
i
++
)
{
if
(
requests
[
i
]
->
kokkos_device
)
nlist_device
++
;
else
if
(
requests
[
i
]
->
kokkos_host
)
nlist_host
++
;
else
nlist
++
;
}
lists_host
=
new
NeighListKokkos
<
LMPHostType
>*
[
nrequest
];
pair_build_host
=
new
PairPtrHost
[
nrequest
];
stencil_create_host
=
new
StencilPtrHost
[
nrequest
];
for
(
i
=
0
;
i
<
nrequest
;
i
++
)
{
lists_host
[
i
]
=
NULL
;
pair_build_host
[
i
]
=
NULL
;
stencil_create_host
[
i
]
=
NULL
;
}
for
(
i
=
0
;
i
<
nrequest
;
i
++
)
{
if
(
!
requests
[
i
]
->
kokkos_host
)
continue
;
lists_host
[
i
]
=
new
NeighListKokkos
<
LMPHostType
>
(
lmp
);
lists_host
[
i
]
->
index
=
i
;
lists_host
[
i
]
->
dnum
=
requests
[
i
]
->
dnum
;
if
(
requests
[
i
]
->
pair
)
{
Pair
*
pair
=
(
Pair
*
)
requests
[
i
]
->
requestor
;
pair
->
init_list
(
requests
[
i
]
->
id
,
lists_host
[
i
]);
}
}
lists_device
=
new
NeighListKokkos
<
LMPDeviceType
>*
[
nrequest
];
pair_build_device
=
new
PairPtrDevice
[
nrequest
];
stencil_create_device
=
new
StencilPtrDevice
[
nrequest
];
for
(
i
=
0
;
i
<
nrequest
;
i
++
)
{
lists_device
[
i
]
=
NULL
;
pair_build_device
[
i
]
=
NULL
;
stencil_create_device
[
i
]
=
NULL
;
}
for
(
i
=
0
;
i
<
nrequest
;
i
++
)
{
if
(
!
requests
[
i
]
->
kokkos_device
)
continue
;
lists_device
[
i
]
=
new
NeighListKokkos
<
LMPDeviceType
>
(
lmp
);
lists_device
[
i
]
->
index
=
i
;
lists_device
[
i
]
->
dnum
=
requests
[
i
]
->
dnum
;
if
(
requests
[
i
]
->
pair
)
{
Pair
*
pair
=
(
Pair
*
)
requests
[
i
]
->
requestor
;
pair
->
init_list
(
requests
[
i
]
->
id
,
lists_device
[
i
]);
}
}
// return # of non-Kokkos lists
return
nlist
;
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
init_list_flags1_kokkos
(
int
i
)
{
if
(
lists_host
[
i
])
{
lists_host
[
i
]
->
buildflag
=
1
;
if
(
pair_build_host
[
i
]
==
NULL
)
lists_host
[
i
]
->
buildflag
=
0
;
if
(
requests
[
i
]
->
occasional
)
lists_host
[
i
]
->
buildflag
=
0
;
lists_host
[
i
]
->
growflag
=
1
;
if
(
requests
[
i
]
->
copy
)
lists_host
[
i
]
->
growflag
=
0
;
lists_host
[
i
]
->
stencilflag
=
1
;
if
(
style
==
NSQ
)
lists_host
[
i
]
->
stencilflag
=
0
;
if
(
stencil_create
[
i
]
==
NULL
)
lists_host
[
i
]
->
stencilflag
=
0
;
lists_host
[
i
]
->
ghostflag
=
0
;
if
(
requests
[
i
]
->
ghost
)
lists_host
[
i
]
->
ghostflag
=
1
;
if
(
requests
[
i
]
->
ghost
&&
!
requests
[
i
]
->
occasional
)
anyghostlist
=
1
;
}
if
(
lists_device
[
i
])
{
lists_device
[
i
]
->
buildflag
=
1
;
if
(
pair_build_device
[
i
]
==
NULL
)
lists_device
[
i
]
->
buildflag
=
0
;
if
(
requests
[
i
]
->
occasional
)
lists_device
[
i
]
->
buildflag
=
0
;
lists_device
[
i
]
->
growflag
=
1
;
if
(
requests
[
i
]
->
copy
)
lists_device
[
i
]
->
growflag
=
0
;
lists_device
[
i
]
->
stencilflag
=
1
;
if
(
style
==
NSQ
)
lists_device
[
i
]
->
stencilflag
=
0
;
if
(
stencil_create
[
i
]
==
NULL
)
lists_device
[
i
]
->
stencilflag
=
0
;
lists_device
[
i
]
->
ghostflag
=
0
;
if
(
requests
[
i
]
->
ghost
)
lists_device
[
i
]
->
ghostflag
=
1
;
if
(
requests
[
i
]
->
ghost
&&
!
requests
[
i
]
->
occasional
)
anyghostlist
=
1
;
}
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
init_list_flags2_kokkos
(
int
i
)
{
if
(
lists_host
[
i
])
{
if
(
lists_host
[
i
]
->
buildflag
)
blist
[
nblist
++
]
=
i
;
if
(
lists_host
[
i
]
->
growflag
&&
requests
[
i
]
->
occasional
==
0
)
glist
[
nglist
++
]
=
i
;
if
(
lists_host
[
i
]
->
stencilflag
&&
requests
[
i
]
->
occasional
==
0
)
slist
[
nslist
++
]
=
i
;
}
if
(
lists_device
[
i
])
{
if
(
lists_device
[
i
]
->
buildflag
)
blist
[
nblist
++
]
=
i
;
if
(
lists_device
[
i
]
->
growflag
&&
requests
[
i
]
->
occasional
==
0
)
glist
[
nglist
++
]
=
i
;
if
(
lists_device
[
i
]
->
stencilflag
&&
requests
[
i
]
->
occasional
==
0
)
slist
[
nslist
++
]
=
i
;
}
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
init_list_grow_kokkos
(
int
i
)
{
if
(
lists_host
[
i
]
!=
NULL
&&
lists_host
[
i
]
->
growflag
)
lists_host
[
i
]
->
grow
(
maxatom
);
if
(
lists_device
[
i
]
!=
NULL
&&
lists_device
[
i
]
->
growflag
)
lists_device
[
i
]
->
grow
(
maxatom
);
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
choose_build
(
int
index
,
NeighRequest
*
rq
)
{
if
(
rq
->
kokkos_host
!=
0
)
{
PairPtrHost
pb
=
NULL
;
if
(
rq
->
full
)
pb
=
&
NeighborKokkos
::
full_bin_kokkos
<
LMPHostType
,
0
>
;
else
if
(
rq
->
half
)
pb
=
&
NeighborKokkos
::
full_bin_kokkos
<
LMPHostType
,
1
>
;
pair_build_host
[
index
]
=
pb
;
return
;
}
if
(
rq
->
kokkos_device
!=
0
)
{
PairPtrDevice
pb
=
NULL
;
if
(
rq
->
full
)
{
if
(
rq
->
full_cluster
)
pb
=
&
NeighborKokkos
::
full_bin_cluster_kokkos
<
LMPDeviceType
>
;
else
pb
=
&
NeighborKokkos
::
full_bin_kokkos
<
LMPDeviceType
,
0
>
;
}
else
if
(
rq
->
half
)
pb
=
&
NeighborKokkos
::
full_bin_kokkos
<
LMPDeviceType
,
1
>
;
pair_build_device
[
index
]
=
pb
;
return
;
}
Neighbor
::
choose_build
(
index
,
rq
);
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
build_kokkos
(
int
i
)
{
if
(
lists_host
[
blist
[
i
]])
(
this
->*
pair_build_host
[
blist
[
i
]])(
lists_host
[
blist
[
i
]]);
else
if
(
lists_device
[
blist
[
i
]])
(
this
->*
pair_build_device
[
blist
[
i
]])(
lists_device
[
blist
[
i
]]);
}
/* ---------------------------------------------------------------------- */
void
NeighborKokkos
::
setup_bins_kokkos
(
int
i
)
{
if
(
lists_host
[
slist
[
i
]])
{
lists_host
[
slist
[
i
]]
->
stencil_allocate
(
smax
,
style
);
(
this
->*
stencil_create
[
slist
[
i
]])(
lists_host
[
slist
[
i
]],
sx
,
sy
,
sz
);
}
else
if
(
lists_device
[
slist
[
i
]])
{
lists_device
[
slist
[
i
]]
->
stencil_allocate
(
smax
,
style
);
(
this
->*
stencil_create
[
slist
[
i
]])(
lists_device
[
slist
[
i
]],
sx
,
sy
,
sz
);
}
if
(
i
<
nslist
-
1
)
return
;
if
(
maxhead
>
k_bins
.
d_view
.
dimension_0
())
{
k_bins
=
DAT
::
tdual_int_2d
(
"Neighbor::d_bins"
,
maxhead
,
atoms_per_bin
);
k_bincount
=
DAT
::
tdual_int_1d
(
"Neighbor::d_bincount"
,
maxhead
);
}
}
// include to trigger instantiation of templated functions
#include "neigh_full_kokkos.h"
Event Timeline
Log In to Comment