Commit d6a744dd authored by Peter Eastman's avatar Peter Eastman
Browse files

Bug fix

parent 91247209
......@@ -136,8 +136,8 @@ void OpenCLIntegrateRPMDStepKernel::execute(ContextImpl& context, const RPMDInte
// Apply the PILE-L thermostat.
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::Buffer>(4, integration.getRandom().getDeviceBuffer()); // Do this *after* prepareRandomNumbers(), which might rebuild the array.
pileKernel.setArg<cl_float>(6, dt);
pileKernel.setArg<cl_float>(7, integrator.getTemperature()*BOLTZ);
pileKernel.setArg<cl_float>(8, integrator.getFriction());
......
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