High performance computing capabilities are now an integral part of industries as diverse as finance, industrial design, and healthcare. Designing these HPC systems and the applications that run on them is challenging—the architecture is more complex, they are frequently running in new environments such as cloud, and trends like big data are altering workloads and accelerating outcomes. One of the... most pressing challenges is energy efficiency. Notes IDC's research vice president for HPC, Steve Conway, "Systems designed to use as little energy as possible are critical, with costs up to a million dollars a year per megawatt."1
Modernizing code with increased parallelism not only allows software to take advantage of the full breadth of Intel® architecture hardware capabilities—it can also increase power efficiency. Optimizing code on the latest Intel® Xeon® E5 v4 and Intel® Xeon Phi™ processors helps transform manycore processing power into faster time to insight.
Large-Scale Atomic/Molecular Massively Parallel Simulator, or LAMMPS, is a software package performing classical Molecular Dynamics (MD) simulations. It is popular for its versatility and support for a wide range of potential energy models, long-range solvers, statistical calculations, and simulation options. LAMMPS is open source code, under the GNU* general public license.