The HPC of CRNN is comprised of one master and 32 slave nodes. The nodes are connected to each other by ultrafast infiniband switch. Each node has eight cores which can be utilized at a time by exploiting hyper threading technology. Therefore, altogether the cluster has 256 cores. The RAM of each node is 16GB. A separate Storage unit having the capacity of 80 TB is also a part of this HPC. The OS of the cluster is REDHAT ENTERPRISE 6.0. The CMU and PBS are also installed for cluster management and efficient parallel processing. Till date, three commercial softwares have been installed for doing quantum chemical calculation and molecular dynamics simulation. These are, namely, Gaussian 09, ATK 12.8.2 and Discovery Studio. Gaussian 09 is a well known software which is capable of doing wide range of quantum chemical calculation, while Discovery Studio is a very useful tool for MD simulations. On the other hand, ATK 12.8.2 is specialized software for doing nano-scale quantum transport calculations. We are also planning to procure few more softwares which will cover the requirement of most of the faculty members associated with the CRNN.