Commit 848e1790 authored by peastman's avatar peastman
Browse files

Merge pull request #860 from peastman/queuebug

Fixed a race condition in OpenCL
parents f322abd1 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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