2. Úvod
  3. Věda
  4. Podpora výzkumu
  5. Core facilities
  6. Vysoce výkonné počítání
  7. Aurum cluster

Aurum cluster

Located in the basement of building B, the aurum cluster provides computational resources to all employees of IOCB. It consists of 286 computational nodes and several control and storage servers with about 400 TB of storage. Users can calculate in aurum freely without the need to apply for computational resources grants. We are happy to introduce new users to the field of high-performance computing. We also try to be flexible in accommodating special requests of our users, so don’t hesitate to contact us.

The software readily available on the server includes Amber and Ambertools, CP2K, Gromacs, Lammps, Orca, Pymol, Relion, Biopython, Psi, Gaussian, Mopac, Turbomole, VASP, castep, SMART-Aptamer, Schrodinger. More details on Aurum Wiki pages, accessible after registration.

User account request for Aurum cluster

  • Please send your IOCB e-mail to kiran_kumar.telukunta@uochb.cas.cz (cc to hseara@uochb.cas.cz and ondrej.tichacek@uochb.cas.cz).
  • Please use your official IOCB email when requesting us to open the account to verify your identity and use "aurum access request" as a subject. We will create an account for you on our GitLab server, which we use for issue reporting and general communication. We will ask you to provide us with some details (ssh key, etc.), and after that, we will create your account in the aurum cluster. You will receive further instructions in our reply.

Aurum hardware description

The cluster is separated into the following physical partitions that differ in hardware capabilities. See details below.

  Queue     Nodes     Count     Cores     CPU     RAM (GiB)     GPU     Scratch     Network  
  cpu     ai[001-232]     204     36     intel     87               100 Gb1  
  mem     ai[205-224]     20     36     intel     181          1 TB nvme     100 Gb1  
  bigmem     ai[225-232]     8     36     intel     748          1 TB nvme     100 Gb1  
  gpu     ai[233-237]     5     36     intel     82     2×RTX 50002     1 TB nvme     100 Gb1  
  gpu     aa[001-032]     32     32     amd     126     2×RTX 30903     2 TB nvme     25 Gb  
  mem     aa[033-048]     16     64     amd     1000          2 TB nvme     25 Gb  
  hugemem     aa049     1     64     amd     1960          2 TB nvme     25 Gb  


1 Omnipath 100 Gb PCIe ×8 Adapter
2 Omnipath 100 Gb PCIe ×8 Adapter RTX 5000 16GB GDDR6
3 Omnipath 100 Gb PCIe ×8 AdapterGeForce RTX 3090 24GB GDDR6

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