Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F85852008
nbin_kokkos.h
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
Wed, Oct 2, 13:15
Size
4 KB
Mime Type
text/x-c
Expires
Fri, Oct 4, 13:15 (1 d, 22 h)
Engine
blob
Format
Raw Data
Handle
21283328
Attached To
rLAMMPS lammps
nbin_kokkos.h
View Options
/* -*- c++ -*- ----------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef NBIN_CLASS
NBinStyle
(
kk
/
host
,
NBinKokkos
<
LMPHostType
>
,
NB_KOKKOS_HOST
)
NBinStyle
(
kk
/
device
,
NBinKokkos
<
LMPDeviceType
>
,
NB_KOKKOS_DEVICE
)
#else
#ifndef LMP_NBIN_KOKKOS_H
#define LMP_NBIN_KOKKOS_H
#include "nbin_standard.h"
#include "kokkos_type.h"
namespace
LAMMPS_NS
{
template
<
class
DeviceType
>
class
NBinKokkos
:
public
NBinStandard
{
public:
typedef
ArrayTypes
<
DeviceType
>
AT
;
NBinKokkos
(
class
LAMMPS
*
);
~
NBinKokkos
()
{}
void
bin_atoms_setup
(
int
);
void
bin_atoms
();
int
atoms_per_bin
;
DAT
::
tdual_int_1d
k_bincount
;
DAT
::
tdual_int_2d
k_bins
;
typename
AT
::
t_int_1d
bincount
;
const
typename
AT
::
t_int_1d_const
c_bincount
;
typename
AT
::
t_int_2d
bins
;
typename
AT
::
t_int_2d_const
c_bins
;
typename
AT
::
t_int_scalar
d_resize
;
typename
ArrayTypes
<
LMPHostType
>::
t_int_scalar
h_resize
;
typename
AT
::
t_x_array_randomread
x
;
KOKKOS_INLINE_FUNCTION
void
binatomsItem
(
const
int
&
i
)
const
;
KOKKOS_INLINE_FUNCTION
int
coord2bin
(
const
X_FLOAT
&
x
,
const
X_FLOAT
&
y
,
const
X_FLOAT
&
z
)
const
{
int
ix
,
iy
,
iz
;
if
(
x
>=
bboxhi_
[
0
])
ix
=
static_cast
<
int
>
((
x
-
bboxhi_
[
0
])
*
bininvx
)
+
nbinx
;
else
if
(
x
>=
bboxlo_
[
0
])
{
ix
=
static_cast
<
int
>
((
x
-
bboxlo_
[
0
])
*
bininvx
);
ix
=
MIN
(
ix
,
nbinx
-
1
);
}
else
ix
=
static_cast
<
int
>
((
x
-
bboxlo_
[
0
])
*
bininvx
)
-
1
;
if
(
y
>=
bboxhi_
[
1
])
iy
=
static_cast
<
int
>
((
y
-
bboxhi_
[
1
])
*
bininvy
)
+
nbiny
;
else
if
(
y
>=
bboxlo_
[
1
])
{
iy
=
static_cast
<
int
>
((
y
-
bboxlo_
[
1
])
*
bininvy
);
iy
=
MIN
(
iy
,
nbiny
-
1
);
}
else
iy
=
static_cast
<
int
>
((
y
-
bboxlo_
[
1
])
*
bininvy
)
-
1
;
if
(
z
>=
bboxhi_
[
2
])
iz
=
static_cast
<
int
>
((
z
-
bboxhi_
[
2
])
*
bininvz
)
+
nbinz
;
else
if
(
z
>=
bboxlo_
[
2
])
{
iz
=
static_cast
<
int
>
((
z
-
bboxlo_
[
2
])
*
bininvz
);
iz
=
MIN
(
iz
,
nbinz
-
1
);
}
else
iz
=
static_cast
<
int
>
((
z
-
bboxlo_
[
2
])
*
bininvz
)
-
1
;
return
(
iz
-
mbinzlo
)
*
mbiny
*
mbinx
+
(
iy
-
mbinylo
)
*
mbinx
+
(
ix
-
mbinxlo
);
}
KOKKOS_INLINE_FUNCTION
int
coord2bin
(
const
X_FLOAT
&
x
,
const
X_FLOAT
&
y
,
const
X_FLOAT
&
z
,
int
*
i
)
const
{
int
ix
,
iy
,
iz
;
if
(
x
>=
bboxhi_
[
0
])
ix
=
static_cast
<
int
>
((
x
-
bboxhi_
[
0
])
*
bininvx
)
+
nbinx
;
else
if
(
x
>=
bboxlo_
[
0
])
{
ix
=
static_cast
<
int
>
((
x
-
bboxlo_
[
0
])
*
bininvx
);
ix
=
MIN
(
ix
,
nbinx
-
1
);
}
else
ix
=
static_cast
<
int
>
((
x
-
bboxlo_
[
0
])
*
bininvx
)
-
1
;
if
(
y
>=
bboxhi_
[
1
])
iy
=
static_cast
<
int
>
((
y
-
bboxhi_
[
1
])
*
bininvy
)
+
nbiny
;
else
if
(
y
>=
bboxlo_
[
1
])
{
iy
=
static_cast
<
int
>
((
y
-
bboxlo_
[
1
])
*
bininvy
);
iy
=
MIN
(
iy
,
nbiny
-
1
);
}
else
iy
=
static_cast
<
int
>
((
y
-
bboxlo_
[
1
])
*
bininvy
)
-
1
;
if
(
z
>=
bboxhi_
[
2
])
iz
=
static_cast
<
int
>
((
z
-
bboxhi_
[
2
])
*
bininvz
)
+
nbinz
;
else
if
(
z
>=
bboxlo_
[
2
])
{
iz
=
static_cast
<
int
>
((
z
-
bboxlo_
[
2
])
*
bininvz
);
iz
=
MIN
(
iz
,
nbinz
-
1
);
}
else
iz
=
static_cast
<
int
>
((
z
-
bboxlo_
[
2
])
*
bininvz
)
-
1
;
i
[
0
]
=
ix
-
mbinxlo
;
i
[
1
]
=
iy
-
mbinylo
;
i
[
2
]
=
iz
-
mbinzlo
;
return
(
iz
-
mbinzlo
)
*
mbiny
*
mbinx
+
(
iy
-
mbinylo
)
*
mbinx
+
(
ix
-
mbinxlo
);
}
private:
double
bboxlo_
[
3
],
bboxhi_
[
3
];
};
template
<
class
DeviceType
>
struct
NPairKokkosBinAtomsFunctor
{
typedef
DeviceType
device_type
;
const
NBinKokkos
<
DeviceType
>
c
;
NPairKokkosBinAtomsFunctor
(
const
NBinKokkos
<
DeviceType
>
&
_c
)
:
c
(
_c
)
{};
~
NPairKokkosBinAtomsFunctor
()
{}
KOKKOS_INLINE_FUNCTION
void
operator
()
(
const
int
&
i
)
const
{
c
.
binatomsItem
(
i
);
}
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
Event Timeline
Log In to Comment