Supercomputer Facility

The institute has a fledgling GPU (graphics processing unit) based High Performance computing facility, consisting of an NVidia supercomputer with Tesla GPU.

GPU computing employs the GPU as a co-processor to accelerate the standard CPUs both for general purpose scientific as well as engineering computing. Numerically intense calculations that do not involve too many logical transfers can be offloaded from the CPU to the GPU, where the massive parallelization using 100s of (relatively small) cores, speeds up overall calculation.

Currently it is being utilized for calculation of material properties from first principles. We hope to use this for molecular dynamics for initial catalyst screening, biochemistry simulations and data analysis.