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tsoc
openmm
Commits
042b8c2c
Commit
042b8c2c
authored
Jan 07, 2013
by
Peter Eastman
Browse files
Fixed crashes in variable time step integrators
parent
94fd9e1d
Changes
2
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2 changed files
with
6 additions
and
4 deletions
+6
-4
platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
+1
-1
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+5
-3
No files found.
platforms/cuda/src/CudaKernels.cpp
View file @
042b8c2c
...
@@ -4329,7 +4329,7 @@ double CudaIntegrateVariableLangevinStepKernel::execute(ContextImpl& context, co
...
@@ -4329,7 +4329,7 @@ double CudaIntegrateVariableLangevinStepKernel::execute(ContextImpl& context, co
useDouble
?
(
void
*
)
&
kT
:
(
void
*
)
&
kTFloat
,
useDouble
?
(
void
*
)
&
kT
:
(
void
*
)
&
kTFloat
,
&
cu
.
getIntegrationUtilities
().
getStepSize
().
getDevicePointer
(),
&
cu
.
getIntegrationUtilities
().
getStepSize
().
getDevicePointer
(),
&
cu
.
getVelm
().
getDevicePointer
(),
&
cu
.
getForce
().
getDevicePointer
(),
&
params
->
getDevicePointer
()};
&
cu
.
getVelm
().
getDevicePointer
(),
&
cu
.
getForce
().
getDevicePointer
(),
&
params
->
getDevicePointer
()};
int
sharedSize
=
blockSize
*
(
useDouble
?
sizeof
(
double
)
:
sizeof
(
float
));
int
sharedSize
=
2
*
blockSize
*
(
useDouble
?
sizeof
(
double
)
:
sizeof
(
float
));
cu
.
executeKernel
(
selectSizeKernel
,
argsSelect
,
blockSize
,
blockSize
,
sharedSize
);
cu
.
executeKernel
(
selectSizeKernel
,
argsSelect
,
blockSize
,
blockSize
,
sharedSize
);
// Call the first integration kernel.
// Call the first integration kernel.
...
...
platforms/opencl/src/OpenCLKernels.cpp
View file @
042b8c2c
...
@@ -4466,7 +4466,8 @@ double OpenCLIntegrateVariableVerletStepKernel::execute(ContextImpl& context, co
...
@@ -4466,7 +4466,8 @@ double OpenCLIntegrateVariableVerletStepKernel::execute(ContextImpl& context, co
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
3
,
cl
.
getIntegrationUtilities
().
getStepSize
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
3
,
cl
.
getIntegrationUtilities
().
getStepSize
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
4
,
cl
.
getVelm
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
4
,
cl
.
getVelm
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
5
,
cl
.
getForce
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
5
,
cl
.
getForce
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
(
6
,
blockSize
*
sizeof
(
cl_float
),
NULL
);
int
elementSize
=
(
useDouble
?
sizeof
(
cl_double
)
:
sizeof
(
cl_float
));
selectSizeKernel
.
setArg
(
6
,
blockSize
*
elementSize
,
NULL
);
}
}
// Select the step size to use.
// Select the step size to use.
...
@@ -4572,8 +4573,9 @@ double OpenCLIntegrateVariableLangevinStepKernel::execute(ContextImpl& context,
...
@@ -4572,8 +4573,9 @@ double OpenCLIntegrateVariableLangevinStepKernel::execute(ContextImpl& context,
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
5
,
cl
.
getVelm
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
5
,
cl
.
getVelm
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
6
,
cl
.
getForce
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
6
,
cl
.
getForce
().
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
7
,
params
->
getDeviceBuffer
());
selectSizeKernel
.
setArg
<
cl
::
Buffer
>
(
7
,
params
->
getDeviceBuffer
());
selectSizeKernel
.
setArg
(
8
,
params
->
getSize
()
*
sizeof
(
cl_float
),
NULL
);
int
elementSize
=
(
useDouble
?
sizeof
(
cl_double
)
:
sizeof
(
cl_float
));
selectSizeKernel
.
setArg
(
9
,
blockSize
*
sizeof
(
cl_float
),
NULL
);
selectSizeKernel
.
setArg
(
8
,
params
->
getSize
()
*
elementSize
,
NULL
);
selectSizeKernel
.
setArg
(
9
,
blockSize
*
elementSize
,
NULL
);
}
}
// Select the step size to use.
// Select the step size to use.
...
...
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