Amsterdam Density Functional (ADF) Benchmarking on IBM Platforms

Abstract

Amsterdam Density Functional (ADF) is a quantum chemistry code based on the Density Functional Theory (DFT). It has become more and more widely used for customer benchmarking. In this report, we describe various aspects of installing, compiling and running this application on IBM platforms. Some useful tips for troubleshooting and achieving the best performance are also provided.