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tsoc
openmm
Commits
e9af706b
"vscode:/vscode.git/clone" did not exist on "bd5434022fb3682279aad3ae2aada6989ea65f40"
Commit
e9af706b
authored
Jul 14, 2009
by
Peter Eastman
Browse files
Fixed bug in CUDA VariableVerletIntegrator
parent
a4020466
Changes
1
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-2
platforms/cuda/src/kernels/kVerletUpdate.cu
platforms/cuda/src/kernels/kVerletUpdate.cu
+3
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platforms/cuda/src/kernels/kVerletUpdate.cu
View file @
e9af706b
...
...
@@ -103,12 +103,13 @@ __global__ void kSelectVerletStepSize_kernel(float maxStepSize)
error
[
threadIdx
.
x
]
+=
(
force
.
x
*
force
.
x
+
force
.
y
*
force
.
y
+
force
.
z
*
force
.
z
)
*
invMass
;
pos
+=
blockDim
.
x
*
gridDim
.
x
;
}
__syncthreads
();
// Sum the errors from all threads.
for
(
int
offset
=
1
;
offset
<
cSim
.
atoms
;
offset
*=
2
)
for
(
int
offset
=
1
;
offset
<
blockDim
.
x
;
offset
*=
2
)
{
if
(
threadIdx
.
x
+
offset
<
cSim
.
atoms
&&
(
threadIdx
.
x
&
(
2
*
offset
-
1
))
==
0
)
if
(
threadIdx
.
x
+
offset
<
blockDim
.
x
&&
(
threadIdx
.
x
&
(
2
*
offset
-
1
))
==
0
)
error
[
threadIdx
.
x
]
+=
error
[
threadIdx
.
x
+
offset
];
__syncthreads
();
}
...
...
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