Modern computers include a massively parallel graphics
processing unit (GPU) designed to perform geometry and lighting
calculations at blistering speeds.
State of the art GPUs can perform 0.5 teraFLOPS with their
The tremendous computational power of GPUs
was untapped by scientific computations because it could only be
accessed with difficulty until now.
in the Journal of Computational Chemistry, recent
allowing GPUs to be used for general purpose computing have
boosted the performance of a number of molecular modeling applications,
electrostatic potential calculations.
The accelerated versions of these
applications run five to one hundred times faster than on the best
CPU-based hardware, allowing a single desktop computer equipped
with a GPU to provide processing power equivalent
to an entire, large computing cluster.
More information on GPU acceleration of molecular modeling
applications is provided