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tsoc
openmm
Commits
81df8d49
Commit
81df8d49
authored
Jun 03, 2015
by
peastman
Browse files
Fixed race condition doing PME in a separate stream
parent
97ebc356
Changes
1
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3 deletions
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-3
platforms/cuda/src/kernels/pme.cu
platforms/cuda/src/kernels/pme.cu
+3
-3
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platforms/cuda/src/kernels/pme.cu
View file @
81df8d49
...
@@ -271,9 +271,9 @@ void gridInterpolateForce(const real4* __restrict__ posq, unsigned long long* __
...
@@ -271,9 +271,9 @@ void gridInterpolateForce(const real4* __restrict__ posq, unsigned long long* __
real
forceX
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecX
.
x
);
real
forceX
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecX
.
x
);
real
forceY
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecY
.
x
+
force
.
y
*
GRID_SIZE_Y
*
recipBoxVecY
.
y
);
real
forceY
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecY
.
x
+
force
.
y
*
GRID_SIZE_Y
*
recipBoxVecY
.
y
);
real
forceZ
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecZ
.
x
+
force
.
y
*
GRID_SIZE_Y
*
recipBoxVecZ
.
y
+
force
.
z
*
GRID_SIZE_Z
*
recipBoxVecZ
.
z
);
real
forceZ
=
-
q
*
(
force
.
x
*
GRID_SIZE_X
*
recipBoxVecZ
.
x
+
force
.
y
*
GRID_SIZE_Y
*
recipBoxVecZ
.
y
+
force
.
z
*
GRID_SIZE_Z
*
recipBoxVecZ
.
z
);
forceBuffers
[
atom
]
+=
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceX
*
0x100000000
));
atomicAdd
(
&
forceBuffers
[
atom
]
,
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceX
*
0x100000000
))
)
;
forceBuffers
[
atom
+
PADDED_NUM_ATOMS
]
+=
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceY
*
0x100000000
));
atomicAdd
(
&
forceBuffers
[
atom
+
PADDED_NUM_ATOMS
]
,
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceY
*
0x100000000
))
)
;
forceBuffers
[
atom
+
2
*
PADDED_NUM_ATOMS
]
+=
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceZ
*
0x100000000
));
atomicAdd
(
&
forceBuffers
[
atom
+
2
*
PADDED_NUM_ATOMS
]
,
static_cast
<
unsigned
long
long
>
((
long
long
)
(
forceZ
*
0x100000000
))
)
;
}
}
}
}
...
...
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