CCM, CEA, and CSM-Based HPCMP Systems Assessment Using GAMESS, OOCORE, and RF-CTH

The High Performance Computing Modernization Program (HPCMP) obtains new supercomputing hardware each year through a rigorous acquisition process known as technology insertion (TI). TI is based primarily on application benchmarks. The suite of applications used spans many disciplines and is carefully constructed to accurately reflect the high Performance Computing Modernization Program (HPCMP) computational workload. The application codes GAMESS, OOCORE, and RF-CTH were used to represent the contributions to the workload in the areas of computational chemistry and materials science (CCM), computational electromagnetics and acoustics (CEA), and computational structural mechanics (CSM), respectively. This paper will compare the performance of the application test cases GAMESS standard/large, OOCORE standard/large, and RF-CTH standard/large on major HPCMP high performance computing (HPC) architectures.