Our group has the following computing (Hardware) facilities :-

One compute cluster of 16 nodes based on rocks 5.3. The specifications are as follows

• 16 x Dell Poweredge Servers.
• Intel Xeon processor running at 3.20 GHz.
• Total of 16 CPU’s with 32 cores for total cluster.
• Total Storage 1 TB.
• Total Memory 48 GB.

Thirteen 2 x Quad core and four 2 x Dual core Intel machines.

• Intel Xeon Processors.
• Minimum of 2 GB memory per core.

Two NVIDIA machines with Tesla C1060 CUDA card for GPU computing.

Apart from the above facilities we use the computing facilities available in the Uni-
versity of Pune campus, CDAC and other collaborators.
We also use some state of the art computational software packages and methods for
our research. Some of these packages are proprietary, some are open source and some
come under academic license.

These are mainly as follows :-

• Viena Ab-Initio Simulation Package (VASP) [Proprietary]
• WIEN2k [Proprietary]
• Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) [Academic License]
• Quantum ESPRESSO [Open source]
• Big DFT [Open Source] Minima Hopping
• Tight-Binding Linear Muffin-Tin Orbital (TB-LMTO) method.