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tsoc
openmm
Commits
d6a744dd
Commit
d6a744dd
authored
Feb 15, 2012
by
Peter Eastman
Browse files
Bug fix
parent
91247209
Changes
1
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plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
+1
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plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp
View file @
d6a744dd
...
@@ -136,8 +136,8 @@ void OpenCLIntegrateRPMDStepKernel::execute(ContextImpl& context, const RPMDInte
...
@@ -136,8 +136,8 @@ void OpenCLIntegrateRPMDStepKernel::execute(ContextImpl& context, const RPMDInte
// Apply the PILE-L thermostat.
// Apply the PILE-L thermostat.
const
double
dt
=
integrator
.
getStepSize
();
const
double
dt
=
integrator
.
getStepSize
();
pileKernel
.
setArg
<
cl
::
Buffer
>
(
4
,
integration
.
getRandom
().
getDeviceBuffer
());
pileKernel
.
setArg
<
cl_uint
>
(
5
,
integration
.
prepareRandomNumbers
(
numParticles
*
numCopies
));
pileKernel
.
setArg
<
cl_uint
>
(
5
,
integration
.
prepareRandomNumbers
(
numParticles
*
numCopies
));
pileKernel
.
setArg
<
cl
::
Buffer
>
(
4
,
integration
.
getRandom
().
getDeviceBuffer
());
// Do this *after* prepareRandomNumbers(), which might rebuild the array.
pileKernel
.
setArg
<
cl_float
>
(
6
,
dt
);
pileKernel
.
setArg
<
cl_float
>
(
6
,
dt
);
pileKernel
.
setArg
<
cl_float
>
(
7
,
integrator
.
getTemperature
()
*
BOLTZ
);
pileKernel
.
setArg
<
cl_float
>
(
7
,
integrator
.
getTemperature
()
*
BOLTZ
);
pileKernel
.
setArg
<
cl_float
>
(
8
,
integrator
.
getFriction
());
pileKernel
.
setArg
<
cl_float
>
(
8
,
integrator
.
getFriction
());
...
...
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