NIC Symposium 2020: proceedings

On February 27 and 28, 2020 computational scientists will present their exciting research results at the 10$^{th}$ NIC symposium in Jülich. About 20 years after the first NIC symposium on December 5 and 6, 2001, this series of biannual meetings has established a valued tradition, highlighting a diverse range of some of the best, modern, computational science at the von Neumann Institute for Computing (NIC). The compilation of recent activities in this accompanying proceedings showcases the extraordinarily broad scope of research on supercomputers, ranging from fundamental aspects of physics such as elementary particle physics, nuclear physics, astrophysics, and statistical physics of hard and soft condensed matter, as well as computational chemistry and life sciences to applied disciplines such as materials physics, fluid-dynamics engineering, and climate research. The symposium and proceedings address both, computational scientists and practitioners as well as the general public that is interested in the advancement of computational science and its applications in diverse, contemporary research fields. In 1998 the NIC has been founded by the Forschungszentrum Jülich (FZJ) and the Deutsches Elektronen-Synchrotron (DESY), and in 2006 the Helmholtzzentrum für Schwerionenforschung (GSI) joined. Ever since the NIC has served the community by providing state-of-the-art supercomputer resources, training and technical support. Within the framework of the Gauss Centre for Supercomputing (GCS), the federal government, and the states North Rhine-Westphalia, Baden-Württemberg, and Bavaria committed 450 Million Euro until 2025 for the development of supercomputing in Germany with equal shares to the three Tier-1 centres, the Jülich Supercomputing Centre (JSC), the High Performance Computing Center Stuttgart (HLRS), and the Leibniz Supercomputing Centre (LRZ) in Munich. The rapid development of computational science is impressively visible in the hardware development: When the NIC was founded, it provided the community with computing resources of 1 tera-flop peak performance through a parallel Cray T3E system and a Cray SV1ex vector computer. In June 2018, the Jülich Wizard for European Leadership Science (JUWELS) – a versatile cluster module of 2500 dual Intel Xeon Platinum nodes with 2 x 24 cores each, as well as 56 nodes, equipped with 4 Nvidia [...