Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F85585568
neigh_list_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
Mon, Sep 30, 03:18
Size
3 KB
Mime Type
text/x-c
Expires
Wed, Oct 2, 03:18 (2 d)
Engine
blob
Format
Raw Data
Handle
21210730
Attached To
rLAMMPS lammps
neigh_list_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 "neigh_list_kokkos.h"
#include "atom.h"
#include "memory.h"
using
namespace
LAMMPS_NS
;
enum
{
NSQ
,
BIN
,
MULTI
};
/* ---------------------------------------------------------------------- */
template
<
class
Device
>
void
NeighListKokkos
<
Device
>::
clean_copy
()
{
ilist
=
NULL
;
numneigh
=
NULL
;
firstneigh
=
NULL
;
firstdouble
=
NULL
;
dnum
=
0
;
iskip
=
NULL
;
ijskip
=
NULL
;
ipage
=
NULL
;
dpage
=
NULL
;
maxstencil
=
0
;
ghostflag
=
0
;
maxstencil_multi
=
0
;
}
/* ---------------------------------------------------------------------- */
template
<
class
Device
>
void
NeighListKokkos
<
Device
>::
grow
(
int
nmax
)
{
// skip if this list is already long enough to store nmax atoms
if
(
nmax
<=
maxatoms
)
return
;
maxatoms
=
nmax
;
d_ilist
=
typename
ArrayTypes
<
Device
>::
t_int_1d
(
"neighlist:ilist"
,
maxatoms
);
d_numneigh
=
typename
ArrayTypes
<
Device
>::
t_int_1d
(
"neighlist:numneigh"
,
maxatoms
);
d_neighbors
=
typename
ArrayTypes
<
Device
>::
t_neighbors_2d
(
"neighlist:neighbors"
,
maxatoms
,
maxneighs
);
memory
->
sfree
(
firstneigh
);
memory
->
sfree
(
firstdouble
);
firstneigh
=
(
int
**
)
memory
->
smalloc
(
maxatoms
*
sizeof
(
int
*
),
"neighlist:firstneigh"
);
if
(
dnum
)
firstdouble
=
(
double
**
)
memory
->
smalloc
(
maxatoms
*
sizeof
(
double
*
),
"neighlist:firstdouble"
);
}
/* ---------------------------------------------------------------------- */
template
<
class
Device
>
void
NeighListKokkos
<
Device
>::
stencil_allocate
(
int
smax
,
int
style
)
{
int
i
;
if
(
style
==
BIN
)
{
if
(
smax
>
maxstencil
)
{
maxstencil
=
smax
;
d_stencil
=
memory
->
create_kokkos
(
d_stencil
,
h_stencil
,
stencil
,
maxstencil
,
"neighlist:stencil"
);
if
(
ghostflag
)
{
memory
->
create_kokkos
(
d_stencilxyz
,
h_stencilxyz
,
stencilxyz
,
maxstencil
,
3
,
"neighlist:stencilxyz"
);
}
}
}
else
{
int
n
=
atom
->
ntypes
;
if
(
maxstencil_multi
==
0
)
{
nstencil_multi
=
new
int
[
n
+
1
];
stencil_multi
=
new
int
*
[
n
+
1
];
distsq_multi
=
new
double
*
[
n
+
1
];
for
(
i
=
1
;
i
<=
n
;
i
++
)
{
nstencil_multi
[
i
]
=
0
;
stencil_multi
[
i
]
=
NULL
;
distsq_multi
[
i
]
=
NULL
;
}
}
if
(
smax
>
maxstencil_multi
)
{
maxstencil_multi
=
smax
;
for
(
i
=
1
;
i
<=
n
;
i
++
)
{
memory
->
destroy
(
stencil_multi
[
i
]);
memory
->
destroy
(
distsq_multi
[
i
]);
memory
->
create
(
stencil_multi
[
i
],
maxstencil_multi
,
"neighlist:stencil_multi"
);
memory
->
create
(
distsq_multi
[
i
],
maxstencil_multi
,
"neighlist:distsq_multi"
);
}
}
}
}
namespace
LAMMPS_NS
{
template
class
NeighListKokkos
<
LMPDeviceType
>
;
#ifdef KOKKOS_HAVE_CUDA
template
class
NeighListKokkos
<
LMPHostType
>
;
#endif
}
Event Timeline
Log In to Comment