Detailed description |
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The attached C++ example code creates a 150-particle Kob-Andersen system using a CustomNonbondedForce and makes repeated calls to VerletIntegrator::step() to integrate dynamics on the OpenCL platform. On my OS X machines, this leaks memory at a rate of ~ 1 MB/s. The code contains a set of boolean switches to allow you to add a comparable NonbondedForce term in place fo the CustomNonbondedForce, in which case no leak is observed. |
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