The Jülich Supercomputing Center (JSC) operates supercomputers of the highest performance class, which enable scientists and engineers to solve highly complex problems by simulations. The institute IBI and the program BioSoft benefit enormously from the high-performance computing facilities of JSC and the periodic performance upgrades. Many of the simulation activities, ranging from molecular dynamics simulations of proteins to mesoscale simulations of complex fluids and active systems, require large computer resources due to the large number of degrees of freedom, the large number of interacting components, and the wide range of relevant time scales. For example, JSC’s simulation lab on molecular systems offers a code for efficient computation of long-distance interactions that is highly beneficial for simulating soft matter systems with electrostatic contributions. In addition, the computer department of the Peter-Grünberg Institute (PGI) operates CPU and GPU clusters for the three theory groups PGI-1, PGI-2, and IBI-5. These clusters are ideally suited for medium-size simulations with optimized software. (
JSC)