Facilities

Hardware

Centre for High computing boasts several versatile high performance-computing (HPC) clusters for the R & D activities. Some of the important computing resources are as below:

Parallel HPC clusters:

Cluster1: A multi-node 16-core Intel Xeon machine with 64 GB RAM and 90 TB storage

Cluster2: A multi-node 95-core Intel Xeon machine with 400 GB RAM and 3 TB storage

GPU workstations:

Tesla workstation: A 16-core Intel Xeon machine with 33 GB RAM and 500 GB storage

RTX workstation: A 32-core Intel Xeon machine with 33 GB RAM and three TB storage

Software

Electronic Structure packages

Gaussian- 03, 09 and 16 packages, Media VASP, MOLPRO, ADF, and other open source codes such as Quantum Espresso, SIESTA, and ORCA

Classical Mechanics Simulation

AMBER, GROMACS, GOLD, Auto DOCK