Azman Computing Center - ARC
Ažman Computing Center (slo. Ažmanov računski center - ARC) is a modern center for High Performance Computing (HPC) that serves researchers at the National Institute of Chemistry as well as external users to perform molecular simulations and complex computational work for chemistry and related sciences. It is named after Prof. Dr. Andrej Ažman (1937-80), a former researcher at the National Institute of Chemistry who gained a great international reputation in the field of computational chemistry.
Funds for the purchase of computer equipment at ARC are provided by the departments of the National Institute of Chemistry with co-financing from the Slovenian reserach agency (ARIS).
HPC stands for the use of large computer clusters and parallel processing techniques to solve complex computational problems. This technology focuses on the development of algorithms and systems for parallel processing, where both appropriate management approaches and parallel processing techniques are important. HPC enables advanced problem solving and research activities through computer modeling, simulation, and analysis. HPC systems are capable of sustained performance through the simultaneous use of multiple computing resources.
ARC began operations in 2019 by consolidating all of the Institute's computing capabilities into one organizational unit, significantly improving the tradition of good computer equipment at NIC. At the same time, the realization of the ambitious plan to build a modern computing infrastructure needed by the Institute began. With a capacity of over 4,000 processor cores and a computing power of over 50 TFLOPS, ARC is one of the most powerful computing centers in Slovenia, and with regular upgrades and increased engagement in the Institute and in the national and international research space, its role will be further strengthened.
Funds for the purchase of computer equipment at ARC are provided by the departments of the National Institute of Chemistry with co-financing from the Slovenian reserach agency (ARIS).
Technical characteristics
The ARC supercomputer cluster consists of a total of 100 nodes, 2616 physical / 5232 logical processor cores, 56 graphics accelerators with a total of 487,424 CUDA cores, 10.3 TB RAM, 210 TB SSD.
Computing nodes are connected to each other via Ethernet and Infiniband connections. External access is possible via a separate login node. The nodes are running the headnode operating system Rocky Linux release 8.6 (Green Obsidian) with the SLURM task manager
Software
ARC is equipped with a wide range of state-of-the-art software for classical, quantum chemical and multiscale molecular simulations and chemometric data analysis, including: AMBER, Blender, CHARMM, Cuda, Discovery Studio, Quantum Espresso, Gaussian, Gnuplot, Goldsuite, Gnuoctave, Gromacs, Miniconda, Molaris, Molden, NAMD, NWChem, Ocaml, Orca, perlMol, python, Q, R, Relion, Scalapack, VASP, VMD.
The software is suitable both for independent research and for supporting experimental studies in the field of chemistry and related sciences. Graphical tools are available for visualization and analysis of results, as well as compilers for programming languages in which the source code of the programs is written. The software is regularly updated, upgraded and adapted to the needs of users.
Rules for use and access to the center
The ARC computing cluster is accessible:
- to all researchers of the National Institute of Chemistry
- users from other research organizations within the framework of cooperation or joint research;
- external users under the conditions set by the consortium of Slovenian HPC centers SLING (https://www.sling.si).
