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tsoc
openmm
Commits
5301b9cc
Commit
5301b9cc
authored
Apr 08, 2010
by
Peter Eastman
Browse files
Fixed bug in writing forces to global memory (see bug 1080)
parent
fac4150f
Changes
1
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1 changed file
with
13 additions
and
24 deletions
+13
-24
platforms/cuda/src/kernels/kCalculateCustomNonbondedForces.h
platforms/cuda/src/kernels/kCalculateCustomNonbondedForces.h
+13
-24
No files found.
platforms/cuda/src/kernels/kCalculateCustomNonbondedForces.h
View file @
5301b9cc
...
@@ -123,22 +123,17 @@ __global__ void METHOD_NAME(kCalculateCustomNonbonded, Forces_kernel)(unsigned i
...
@@ -123,22 +123,17 @@ __global__ void METHOD_NAME(kCalculateCustomNonbonded, Forces_kernel)(unsigned i
}
}
// Write results
// Write results
float4
of
;
#ifdef USE_OUTPUT_BUFFER_PER_WARP
#ifdef USE_OUTPUT_BUFFER_PER_WARP
unsigned
int
offset
=
x
+
tgx
+
warp
*
cSim
.
stride
;
unsigned
int
offset
=
x
+
tgx
+
warp
*
cSim
.
stride
;
of
=
cSim
.
pForce4
[
offset
];
#else
unsigned
int
offset
=
x
+
tgx
+
(
x
>>
GRIDBITS
)
*
cSim
.
stride
;
#endif
float4
of
=
cSim
.
pForce4
[
offset
];
of
.
x
+=
af
.
x
;
of
.
x
+=
af
.
x
;
of
.
y
+=
af
.
y
;
of
.
y
+=
af
.
y
;
of
.
z
+=
af
.
z
;
of
.
z
+=
af
.
z
;
cSim
.
pForce4
[
offset
]
=
of
;
cSim
.
pForce4
[
offset
]
=
of
;
#else
of
.
x
=
af
.
x
;
of
.
y
=
af
.
y
;
of
.
z
=
af
.
z
;
of
.
w
=
0
.
0
f
;
unsigned
int
offset
=
x
+
tgx
+
(
x
>>
GRIDBITS
)
*
cSim
.
stride
;
cSim
.
pForce4
[
offset
]
=
of
;
#endif
}
}
else
// 100% utilization
else
// 100% utilization
{
{
...
@@ -370,30 +365,24 @@ __global__ void METHOD_NAME(kCalculateCustomNonbonded, Forces_kernel)(unsigned i
...
@@ -370,30 +365,24 @@ __global__ void METHOD_NAME(kCalculateCustomNonbonded, Forces_kernel)(unsigned i
float4
of
;
float4
of
;
#ifdef USE_OUTPUT_BUFFER_PER_WARP
#ifdef USE_OUTPUT_BUFFER_PER_WARP
unsigned
int
offset
=
x
+
tgx
+
warp
*
cSim
.
stride
;
unsigned
int
offset
=
x
+
tgx
+
warp
*
cSim
.
stride
;
#else
unsigned
int
offset
=
x
+
tgx
+
(
y
>>
GRIDBITS
)
*
cSim
.
stride
;
#endif
of
=
cSim
.
pForce4
[
offset
];
of
=
cSim
.
pForce4
[
offset
];
of
.
x
+=
af
.
x
;
of
.
x
+=
af
.
x
;
of
.
y
+=
af
.
y
;
of
.
y
+=
af
.
y
;
of
.
z
+=
af
.
z
;
of
.
z
+=
af
.
z
;
cSim
.
pForce4
[
offset
]
=
of
;
cSim
.
pForce4
[
offset
]
=
of
;
#ifdef USE_OUTPUT_BUFFER_PER_WARP
offset
=
y
+
tgx
+
warp
*
cSim
.
stride
;
offset
=
y
+
tgx
+
warp
*
cSim
.
stride
;
#else
offset
=
y
+
tgx
+
(
x
>>
GRIDBITS
)
*
cSim
.
stride
;
#endif
of
=
cSim
.
pForce4
[
offset
];
of
=
cSim
.
pForce4
[
offset
];
of
.
x
+=
sA
[
threadIdx
.
x
].
fx
;
of
.
x
+=
sA
[
threadIdx
.
x
].
fx
;
of
.
y
+=
sA
[
threadIdx
.
x
].
fy
;
of
.
y
+=
sA
[
threadIdx
.
x
].
fy
;
of
.
z
+=
sA
[
threadIdx
.
x
].
fz
;
of
.
z
+=
sA
[
threadIdx
.
x
].
fz
;
cSim
.
pForce4
[
offset
]
=
of
;
cSim
.
pForce4
[
offset
]
=
of
;
#else
of
.
x
=
af
.
x
;
of
.
y
=
af
.
y
;
of
.
z
=
af
.
z
;
of
.
w
=
0
.
0
f
;
unsigned
int
offset
=
x
+
tgx
+
(
y
>>
GRIDBITS
)
*
cSim
.
stride
;
cSim
.
pForce4
[
offset
]
=
of
;
of
.
x
=
sA
[
threadIdx
.
x
].
fx
;
of
.
y
=
sA
[
threadIdx
.
x
].
fy
;
of
.
z
=
sA
[
threadIdx
.
x
].
fz
;
offset
=
y
+
tgx
+
(
x
>>
GRIDBITS
)
*
cSim
.
stride
;
cSim
.
pForce4
[
offset
]
=
of
;
#endif
lasty
=
y
;
lasty
=
y
;
}
}
...
...
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