Before revision: We present an implementation of a general purpose GPU-Molecular Dynamics code named LAMMPScuda which is based on LAMMPS. It exhibits excellent scaling behavior, allowing for the efficient usage of hundreds of GPUs for a single simulation . At the same time each GPU provides the equivalent performance of approximately 5 modern Quad Core CPUs. By supporting a wide array of force fields LAMMPScuda allows to model many different condensed matter systems including URLanic glasses, polymer systems and molecular fluids. In the paper implementation details are presented as well as performance measurements with a number of different condensed systems .
After revision: We present a GPU implementation of LAMMPS, a number of different condensed systems .