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tsoc
openmm
Commits
90a5e2db
"wrappers/python/vscode:/vscode.git/clone" did not exist on "2fed304b35ed9e30bb7e4ecc079fd1477d0fe440"
Commit
90a5e2db
authored
Apr 10, 2012
by
Peter Eastman
Browse files
Fixed bug in CustomIntegrator computing global parameters
parent
19d92e1d
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1
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platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+1
-2
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platforms/opencl/src/OpenCLKernels.cpp
View file @
90a5e2db
...
...
@@ -3913,7 +3913,6 @@ void OpenCLIntegrateCustomStepKernel::execute(ContextImpl& context, CustomIntegr
compute
<<
"{
\n
"
<<
createGlobalComputation
(
variable
[
i
],
expression
[
i
],
integrator
)
<<
"}
\n
"
;
map
<
string
,
string
>
replacements
;
replacements
[
"COMPUTE_STEP"
]
=
compute
.
str
();
stringstream
args
;
cl
::
Program
program
=
cl
.
createProgram
(
cl
.
replaceStrings
(
OpenCLKernelSources
::
customIntegratorGlobal
,
replacements
),
defines
);
cl
::
Kernel
kernel
=
cl
::
Kernel
(
program
,
"computeGlobal"
);
kernels
[
step
].
push_back
(
kernel
);
...
...
@@ -4006,7 +4005,7 @@ void OpenCLIntegrateCustomStepKernel::execute(ContextImpl& context, CustomIntegr
else
if
(
stepType
[
i
]
==
CustomIntegrator
::
ComputeGlobal
&&
!
merged
[
i
])
{
kernels
[
i
][
0
].
setArg
<
cl_float
>
(
3
,
SimTKOpenMMUtilities
::
getUniformlyDistributedRandomNumber
());
kernels
[
i
][
0
].
setArg
<
cl_float
>
(
4
,
SimTKOpenMMUtilities
::
getNormallyDistributedRandomNumber
());
cl
.
executeKernel
(
kernels
[
i
][
0
],
1
);
cl
.
executeKernel
(
kernels
[
i
][
0
],
1
,
1
);
}
else
if
(
stepType
[
i
]
==
CustomIntegrator
::
ComputeSum
)
{
kernels
[
i
][
0
].
setArg
<
cl_uint
>
(
9
,
integration
.
prepareRandomNumbers
(
requiredGaussian
[
i
]));
...
...
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