RESOLV Cluster

LOT-0001
RESOLV Cluster.
Ruhr University Bochum (RUB) requires a simulation cluster as the Central Compute Facility of RESOLV EXC 2033/2. The Center for Molecular Spectroscopy and Simulation of Solvent-Controlled Processes (ZEMOS) provides the space and personnel for this purpose. The use of the cluster includes scientific simulations in the fields of molecular dynamics, quantum chemistry, and machine learning. Different applications will be accommodated through two different types of nodes: firstly, MPI-optimized two CPU socket nodes, and secondly, GPU-optimized nodes with 4 GPUs per node. For the GPU nodes, 45-55% of the available budget must be used. The remainder of the budget will be allocated for the MPI-optimized nodes as well as the required infrastructure specified below. The installation must be done in water-cooled server racks, which are also part of this tender. Several 1 GBit/s Ethernet ports and fiber optic ports are available for connection to the internal university network via the racks. Power can be drawn from three-phase sockets (5-pin, 3 phases, secured with 16 A) from the ceiling power strip. Additionally, UPS buffered power sockets for front-end/storage servers and RAIDs are available over the rack locations. Only services such as ntp and dns are drawn from the university network, and login via ssh is enabled. User management must be connected to an existing server (FreeIPA). A freight elevator can be used to bring the components into the basement of ZEMOS (door height: 2400mm, door width: 1200mm, depth: 2600mm, maximum 2000kg load).