top of page

Computing Facilities

cluster_square.png

CCL Computing Cluster

We house a small computing cluster (720 cores) with Intel 6230 and Intel 6230R processors. 

param1.png

PARAM Pravega is a National Supercomputer Mission (NSM) Supercomputer at SERC, IISc. The PARAM Pravega system is a mix of heterogeneous nodes built of Intel Xeon Cascade Lake processors for the CPU nodes and NVIDIA Tesla V100 cards on the GPU nodes.

rnarasimha_Cluster.png

The RNC at SERC, IISc has regular nodes with typical HPC configurations, a high-memory node for large-scale memory intensive computing, two NVIDIA V100 nodes with high-speed NVLink for GPU accelerations and nodes with large-volume SSDs .

workstation_edited.jpg

Workstation

Our lab is equipped with 10 high-end workstations with P4000 graphics card.

​Licensed Software

Gaussian_logo_with_name_Logo.jpg

Gaussian & GaussView

Electronic Structure Modelling

(Gaussian v09 & v16)

AIMALL_edited.jpg

Atoms In Molecules

Quantitative and Visual QTAIM (Quantum Theory of Atoms in Molecules) Analyses of Molecular Systems 

Screenshot from 2023-01-16 16-32-12_edited.jpg

Amber18

Molecular Dynamics Package

Screenshot from 2023-01-16 17-25-56_edited.jpg

Amsterdam Modeling Suite

Comprehensive Computational Chemistry Toolbox

white-chemcraft.jpg

ChemCraft

Visualization

bottom of page