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tsoc
openmm
Commits
558b3636
Commit
558b3636
authored
Mar 24, 2015
by
Peter Eastman
Browse files
Fixed a race condition in OpenCL
parent
f322abd1
Changes
1
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platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
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platforms/opencl/src/OpenCLKernels.cpp
View file @
558b3636
...
...
@@ -131,10 +131,10 @@ double OpenCLCalcForcesAndEnergyKernel::finishComputation(ContextImpl& context,
cl
.
getBondedUtilities
().
computeInteractions
(
groups
);
if
((
groups
&
(
1
<<
cl
.
getNonbondedUtilities
().
getForceGroup
()))
!=
0
)
cl
.
getNonbondedUtilities
().
computeInteractions
();
cl
.
reduceForces
();
double
sum
=
0.0
;
for
(
vector
<
OpenCLContext
::
ForcePostComputation
*>::
iterator
iter
=
cl
.
getPostComputations
().
begin
();
iter
!=
cl
.
getPostComputations
().
end
();
++
iter
)
sum
+=
(
*
iter
)
->
computeForceAndEnergy
(
includeForces
,
includeEnergy
,
groups
);
cl
.
reduceForces
();
cl
.
getIntegrationUtilities
().
distributeForcesFromVirtualSites
();
if
(
includeEnergy
)
{
OpenCLArray
&
energyArray
=
cl
.
getEnergyBuffer
();
...
...
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