Can I use my CPU to do calculations too?

For now, the GPU2 core uses the CPU a bit in addition to heavy use of the GPU. However, we hope to off load the calculation completely to the GPU in the future. In general, the CPU and GPU can each be given a separate WU to process.

We also have plans to develop a hybrid CPU-GPU core using OpenMM and new Long Timestep Molecular Dynamics (LTMD). See this blog post for more information.