Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F90036188
npair_half_bin_newton_intel.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, Oct 28, 17:16
Size
3 KB
Mime Type
text/x-c++
Expires
Wed, Oct 30, 17:16 (1 d, 21 h)
Engine
blob
Format
Raw Data
Handle
21995826
Attached To
rLAMMPS lammps
npair_half_bin_newton_intel.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: W. Michael Brown (Intel)
------------------------------------------------------------------------- */
#include "npair_half_bin_newton_intel.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "atom.h"
#include "comm.h"
#include "group.h"
using
namespace
LAMMPS_NS
;
/* ---------------------------------------------------------------------- */
NPairHalfBinNewtonIntel
::
NPairHalfBinNewtonIntel
(
LAMMPS
*
lmp
)
:
NPairIntel
(
lmp
)
{}
/* ----------------------------------------------------------------------
binned neighbor list construction with full Newton's 3rd law
each owned atom i checks its own bin and other bins in Newton stencil
every pair stored exactly once by some processor
------------------------------------------------------------------------- */
void
NPairHalfBinNewtonIntel
::
build
(
NeighList
*
list
)
{
if
(
nstencil
/
2
>
INTEL_MAX_STENCIL_CHECK
)
error
->
all
(
FLERR
,
"Too many neighbor bins for USER-INTEL package."
);
#ifdef _LMP_INTEL_OFFLOAD
if
(
exclude
)
error
->
all
(
FLERR
,
"Exclusion lists not yet supported for Intel offload"
);
#endif
if
(
_fix
->
precision
()
==
FixIntel
::
PREC_MODE_MIXED
)
hbni
(
list
,
_fix
->
get_mixed_buffers
());
else
if
(
_fix
->
precision
()
==
FixIntel
::
PREC_MODE_DOUBLE
)
hbni
(
list
,
_fix
->
get_double_buffers
());
else
hbni
(
list
,
_fix
->
get_single_buffers
());
_fix
->
stop_watch
(
TIME_HOST_NEIGHBOR
);
}
template
<
class
flt_t
,
class
acc_t
>
void
NPairHalfBinNewtonIntel
::
hbni
(
NeighList
*
list
,
IntelBuffers
<
flt_t
,
acc_t
>
*
buffers
)
{
const
int
nlocal
=
(
includegroup
)
?
atom
->
nfirst
:
atom
->
nlocal
;
list
->
inum
=
nlocal
;
int
host_start
=
_fix
->
host_start_neighbor
();
const
int
off_end
=
_fix
->
offload_end_neighbor
();
#ifdef _LMP_INTEL_OFFLOAD
if
(
off_end
)
grow_stencil
();
if
(
_fix
->
full_host_list
())
host_start
=
0
;
int
offload_noghost
=
_fix
->
offload_noghost
();
#endif
buffers
->
grow_list
(
list
,
atom
->
nlocal
,
comm
->
nthreads
,
off_end
);
int
need_ic
=
0
;
if
(
atom
->
molecular
)
dminimum_image_check
(
need_ic
,
neighbor
->
cutneighmax
,
neighbor
->
cutneighmax
,
neighbor
->
cutneighmax
);
#ifdef _LMP_INTEL_OFFLOAD
if
(
need_ic
)
{
if
(
offload_noghost
)
{
bin_newton
<
flt_t
,
acc_t
,
1
,
1
,
0
,
0
,
0
>
(
1
,
list
,
buffers
,
0
,
off_end
);
bin_newton
<
flt_t
,
acc_t
,
1
,
1
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
,
off_end
);
}
else
{
bin_newton
<
flt_t
,
acc_t
,
0
,
1
,
0
,
0
,
0
>
(
1
,
list
,
buffers
,
0
,
off_end
);
bin_newton
<
flt_t
,
acc_t
,
0
,
1
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
);
}
}
else
{
if
(
offload_noghost
)
{
bin_newton
<
flt_t
,
acc_t
,
1
,
0
,
0
,
0
,
0
>
(
1
,
list
,
buffers
,
0
,
off_end
);
bin_newton
<
flt_t
,
acc_t
,
1
,
0
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
,
off_end
);
}
else
{
bin_newton
<
flt_t
,
acc_t
,
0
,
0
,
0
,
0
,
0
>
(
1
,
list
,
buffers
,
0
,
off_end
);
bin_newton
<
flt_t
,
acc_t
,
0
,
0
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
);
}
}
#else
if
(
need_ic
)
bin_newton
<
flt_t
,
acc_t
,
0
,
1
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
);
else
bin_newton
<
flt_t
,
acc_t
,
0
,
0
,
0
,
0
,
0
>
(
0
,
list
,
buffers
,
host_start
,
nlocal
);
#endif
}
Event Timeline
Log In to Comment