Computing Facilities
Group has computing time allocations to access national supercomputing servers: KISTI NURION and NEURON (GPU)
Compute Nodes (total 880 heterogeneous cores)
Interconnect
Mellanox MSB7890-ES2F Switch-IB 2 Based EDR InfiniBand 1U Switch 36 Port
Ubuntu 22.04.3 LTS
Intel(R) Gold 6230R CPU @ 2.10 GHz (26 cores x 2)
384 GB (32GB DDR4 2933 MHz RDIMM ECC x 12)
4.0 TB NVMe M.2 SSD
NVIDIA RTX A6000 48GB
Ubuntu 22.04.1 LTS
Intel(R) Gold 6448Y CPU @ 2.10 GHz (32 cores x 2)
384 GB (32GB DDR5 38400 REG/ECC x 12)
2.0 TB NVMe M.2 SSD
NVIDIA RTX 4090 24GB x 2
Commercial Computational Software Licenses
VASP 6.0 or higher
Gaussian 16
Materials Studio
Cambridge Structural Database
TeraChem
Chemcraft Visualizer