The CM department's demand for high-performance computing is met by its own compute cluster. Since 2014, the cluster is located in and operated by the Max Planck Computing and Data Facility in Garching (near Munich), which offers not only a high expertise and excellent support, but also an energy-efficient cooling via groundwater. The computational ressources are exclusively reserved for the department and the Atomistic Modelling group of the GO department.
The cluster design is optimized for medium-scale plane-wave density-functional theory calculations (20-400 cores, compute bound), which account for the major part of its actual use. The cluster is heavily used and typically loaded to more than 90% throughout the year. A unique advantage of using our own cluster is that we can adapt the usage rules to the scientific demands. For data, a 130 TB fileserver is available. The cluster has two parts, which are alternatingly replaced after 5-6 years, i.e. every 2-3 years half of the cluster is renewed. At present, we have
- cmmc (built in 2014): 212 compute nodes, each with 20 CPU cores (namely 2x 10-core Intel "Ivybridge" E5-2680 v2 @ 2.80GHz) and 64 GB of RAM, connected via 56 Gbit/s infiniband (1:1 blocking), Linpack peak performance ~80 Tflop/s
- cmfe (built in 2016): 222 compute nodes, each with 40 CPU cores (namely 2x 20-core Intel "Broadwell" E5-2698 v4 @ 2.20GHz) and 128 GB of RAM, connected via 56 Gbit/s infiniband (1:8 blocking); Linpack peak performance ~150 Tflop/s
The next upgrade is planned for late 2019.