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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).


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