The International Conference for High Performance Computing, Networking, Storage and Analysis
Visualizations of Molecular Dynamics Simulations of High-Performance Polycrystalline Structural Ceramics.
Authors: Christopher Lewis (High Performance Computing Modernization Program Data Analysis and Assessment Center), Miguel Valenciano (High Performance Computing Modernization Program Data Analysis and Assessment Center), Charles Cornwell (U.S. Army Engineer Research and Development Center)
Abstract: The Data Analysis and Assessment Center (DAAC) serves the needs of the Department of Defense (DOD) High Performance Computing Modernization Program (HPCMP) scientists by facilitating the analysis of an ever increasing volume and complexity of data. Dr. Charles Cornwell is a research scientist and HPCMP user who ran nanoscale molecular dynamics simulations using Large-scale Atomic/Molecular Massively Parallel Simulator code (LAMMPS) from Sandia National Laboratories. The largest of the resulting data contained over 15 million atoms. The DAAC developed a novel method to visualize this unusually large-scale and complex data.
All of the molecular dynamics simulations and the analytics were processed using High Performance Computing (HPC) resources available to users of the DOD HPCMP.