IOCB Prague

High Performance Computing

Hector Martinez-Seara Group
Service Group
PHYS cluster

About our group

We maintain an in-house high performance computing cluster called Aurum, accessible to anyone from IOCB wanting to solve problems that need huge computing power. We also provide consultations and help with the computational projects of IOCB researchers. The topics cover broad areas, ranging from image processing, virtual screening of compound libraries against biomolecular targets, and molecular dynamics simulations to big data handling, software and hardware support connected with these tasks.

The Aurum cluster boasts 285 nodes, 37 of them equipped with double GPU cards, 16 nodes are equipped with ~1TB RAM and 1 with ~2TB RAM. This setup allows the users to run efficiently molecular dynamics simulations or process large datasets.