JuKinet

JuKinet computational cluster

The theoretical kinetics group runs a modest computational cluster, designed specifically for the type of calculations needed for our research. Some characteristics:

• Intel Xeon-based CPUs with up to 28 cores per node (dual cpu); 230 cores total
• Up to 128GB of memory per node; 1.5TB total
• Up to 5TB of high-speed DAS disk scratch space per node; 57TB total disk RAID
• Torque resource manager + Maui queuing system
• Quantum chemical and theoretical kinetic applications installed

The cluster is physically hosted at the JSC (Jülich Supercomputing Center).