*5.6.3. Using multiple GPUs*

Similarly to the previous section, reference [39] deals with accelerating only the pairwise potential calculation on GPU. The scoring function consists of two usual terms representing the van der Waals and electrostatic interaction. However, in this implementation two separate GPU devices are used; one of them calculates the van der Waals, the other one the electrostatic term. In a real docking application this approach would be probably impractical due to the required CPU-GPU memory transfer operations. Still, the applicability of multiple GPUs to the docking problem is intriguing; the most trivial way of utilizing them is to perform independent runs on the different devices. In case of this implementation overall speedup factors between ×118-193 were achieved; the test platform consisted of a 2.4 GHz Intel Core 2 Quad CPU and an NVIDIA GeForce 8800 GTX GPU.
