Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F88084317
lal_yukawa_ext.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
Wed, Oct 16, 17:04
Size
4 KB
Mime Type
text/x-c
Expires
Fri, Oct 18, 17:04 (2 d)
Engine
blob
Format
Raw Data
Handle
21666476
Attached To
rLAMMPS lammps
lal_yukawa_ext.cpp
View Options
/***************************************************************************
yukawa_ext.cpp
-------------------
Trung Dac Nguyen (ORNL)
Functions for LAMMPS access to yukawa acceleration routines.
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
email : nguyentd@ornl.gov
***************************************************************************/
#include <iostream>
#include <cassert>
#include <math.h>
#include "lal_yukawa.h"
using
namespace
std
;
using
namespace
LAMMPS_AL
;
static
Yukawa
<
PRECISION
,
ACC_PRECISION
>
YKMF
;
// ---------------------------------------------------------------------------
// Allocate memory on host and device and copy constants to device
// ---------------------------------------------------------------------------
int
yukawa_gpu_init
(
const
int
ntypes
,
double
**
cutsq
,
double
kappa
,
double
**
host_a
,
double
**
offset
,
double
*
special_lj
,
const
int
inum
,
const
int
nall
,
const
int
max_nbors
,
const
int
maxspecial
,
const
double
cell_size
,
int
&
gpu_mode
,
FILE
*
screen
)
{
YKMF
.
clear
();
gpu_mode
=
YKMF
.
device
->
gpu_mode
();
double
gpu_split
=
YKMF
.
device
->
particle_split
();
int
first_gpu
=
YKMF
.
device
->
first_device
();
int
last_gpu
=
YKMF
.
device
->
last_device
();
int
world_me
=
YKMF
.
device
->
world_me
();
int
gpu_rank
=
YKMF
.
device
->
gpu_rank
();
int
procs_per_gpu
=
YKMF
.
device
->
procs_per_gpu
();
YKMF
.
device
->
init_message
(
screen
,
"yukawa"
,
first_gpu
,
last_gpu
);
bool
message
=
false
;
if
(
YKMF
.
device
->
replica_me
()
==
0
&&
screen
)
message
=
true
;
if
(
message
)
{
fprintf
(
screen
,
"Initializing GPU and compiling on process 0..."
);
fflush
(
screen
);
}
int
init_ok
=
0
;
if
(
world_me
==
0
)
init_ok
=
YKMF
.
init
(
ntypes
,
cutsq
,
kappa
,
host_a
,
offset
,
special_lj
,
inum
,
nall
,
300
,
maxspecial
,
cell_size
,
gpu_split
,
screen
);
YKMF
.
device
->
world_barrier
();
if
(
message
)
fprintf
(
screen
,
"Done.
\n
"
);
for
(
int
i
=
0
;
i
<
procs_per_gpu
;
i
++
)
{
if
(
message
)
{
if
(
last_gpu
-
first_gpu
==
0
)
fprintf
(
screen
,
"Initializing GPU %d on core %d..."
,
first_gpu
,
i
);
else
fprintf
(
screen
,
"Initializing GPUs %d-%d on core %d..."
,
first_gpu
,
last_gpu
,
i
);
fflush
(
screen
);
}
if
(
gpu_rank
==
i
&&
world_me
!=
0
)
init_ok
=
YKMF
.
init
(
ntypes
,
cutsq
,
kappa
,
host_a
,
offset
,
special_lj
,
inum
,
nall
,
300
,
maxspecial
,
cell_size
,
gpu_split
,
screen
);
YKMF
.
device
->
gpu_barrier
();
if
(
message
)
fprintf
(
screen
,
"Done.
\n
"
);
}
if
(
message
)
fprintf
(
screen
,
"
\n
"
);
if
(
init_ok
==
0
)
YKMF
.
estimate_gpu_overhead
();
return
init_ok
;
}
void
yukawa_gpu_clear
()
{
YKMF
.
clear
();
}
int
**
yukawa_gpu_compute_n
(
const
int
ago
,
const
int
inum_full
,
const
int
nall
,
double
**
host_x
,
int
*
host_type
,
double
*
sublo
,
double
*
subhi
,
int
*
tag
,
int
**
nspecial
,
int
**
special
,
const
bool
eflag
,
const
bool
vflag
,
const
bool
eatom
,
const
bool
vatom
,
int
&
host_start
,
int
**
ilist
,
int
**
jnum
,
const
double
cpu_time
,
bool
&
success
)
{
return
YKMF
.
compute
(
ago
,
inum_full
,
nall
,
host_x
,
host_type
,
sublo
,
subhi
,
tag
,
nspecial
,
special
,
eflag
,
vflag
,
eatom
,
vatom
,
host_start
,
ilist
,
jnum
,
cpu_time
,
success
);
}
void
yukawa_gpu_compute
(
const
int
ago
,
const
int
inum_full
,
const
int
nall
,
double
**
host_x
,
int
*
host_type
,
int
*
ilist
,
int
*
numj
,
int
**
firstneigh
,
const
bool
eflag
,
const
bool
vflag
,
const
bool
eatom
,
const
bool
vatom
,
int
&
host_start
,
const
double
cpu_time
,
bool
&
success
)
{
YKMF
.
compute
(
ago
,
inum_full
,
nall
,
host_x
,
host_type
,
ilist
,
numj
,
firstneigh
,
eflag
,
vflag
,
eatom
,
vatom
,
host_start
,
cpu_time
,
success
);
}
double
yukawa_gpu_bytes
()
{
return
YKMF
.
host_memory_usage
();
}
Event Timeline
Log In to Comment