About PARAM Shakti
The state-of-the-art supercomputing system is a supercomputing facility established at IIT Kharagpur under build approach of NSM with a peak computing power of 1.66 PetaFlops. PARAM Shakti is designed and commissioned by C-DAC to cater to the computational needs of IIT Kharagpur and nearby Research, Engineering and scientific institutes of the region. The system is built with the latest cutting-edge hardware and software technologies. As part of the NSM Phase 1 Deployment, PARAM Shakti HPC System with a peak performance of 1.66PF has been installed at IIT Kharagpur.
PARAM Shakti Details
| System Specifications | |
|---|---|
| Theoretical Peak Floating-point Performance Total (Rpeak) | 1.66 PFLOPS |
| Base Specifications (Compute Nodes) | 2 X Intel Xeon Skylake 6148, 20 Cores, 2.4 GHz, Processors per node, 192 GB Memory, 480 GB SSD |
| Master/Service/Login Nodes | 20 nos. |
| CPU only Compute Nodes (Memory) | 384 nos. (192GB) |
| GPU Nodes (Memory) | 22 nos. (44 Nvidia V100 PCIe) |
| High Memory Compute Nodes | 36 nos. (768GB) |
| Total Memory | 103.125 TB |
| Interconnect | Primary: 100Gbps Mellanox Infiniband Interconnect network 100% non-blocking, fat tree topology Secondary: 10G/1G Ethernet Network Management network: 1G Ethernet |
| Primary Storage | Lustre based Primary storage 1.5 PiB usable with 50 GB/Sec write throughput |
| Archival Storage | Archival Storage 500 TiB usable capacity based on DDN Gridscaler (GPFS) with 2GB/sec write throughput |
| CPU Only Compute Nodes | |
|---|---|
| Nodes | 384 |
| Cores | 15,360 |
| Compute Power of Rpeak | 1179.6 TFLOPS |
| Each Node with | 2 X Intel Xeon Skylake 6148, 20 cores, 2.4 GHz, processors 192 GB memory 480 GB SSD |
| GPU Only Compute Nodes | |
|---|---|
| Nodes | 22 |
| CPU Cores | 880 |
| CUDA Cores | 225280 |
| Rpeak | Compute Power of RPeak 375.5 TF |
| Each Node with | 2 X Intel Xeon Skylake 6148, 20 cores, 2.4 GHz, processors 192 GB Memory 2 x NVIDIA V100 PCIe Accelerator GPU Cards (44 Nodes) 480 GB SSD |
| High Memory Compute Nodes | |
|---|---|
| Nodes | 36 |
| CPU Cores | 1440 |
| Compute Power of Rpeak | 110.6 TFLOPS |
| Each Node with | 2 X Intel Xeon Skylake 6148, 20 cores, 2.4 GHz, processors 768 GB Memory 480 GB SSD |
PARAM Shakti Architecture Diagram:
Software Stack:
Installed Applications/Libraries
HPC Applications
- Bio-informatics: MUMmer, HMMER, MEME, PHYLIP, mpiBLAST, ClustalW
- Molecular Dynamics: NAMD (for CPU and GPU), LAMMPS, GROMACS
- CFD: OpenFOAM, SU2
- Material Modeling, Quantum Chemistry: Quantum-Espresso, Abinit, CP2K, NWChem
- Weather, Ocean, Climate: WRF-ARW, WPS (WRF), ARWPost (WRF), RegCM, MOM, ROMS
In-house Developed, Open-source Materials and Computational Chemistry (MCC) HPC Applications/Softwares
- AMDKIIT : Linear scaling hybrid-DFT code for ab initio molecular dynamics
- ANN-CI : Computational chemistry, code augmented by machine learning for studying complex biological systems
- LITESOPH: Layer Integrated Toolkit and Engine for Simulations of Photo-induced phenomena is a toolkit for simulations of photo-induced phenomena
- Mµ2Mech : It is a multiscale modeling approach combining atomistic and phase-field simulations for microstructure modeling during solid-state phase transformations
- MTA* : Quantum chemistry code based on the fragmentation-based molecular tailoring approach ( * MTA will be facilitated based on the Gaussian Institutional license. Kindly contact mscc-support@cdac.in for more details.)
Deep Learning Libraries
- cuDNN, TensorFlow, Theano
Dependency Libraries
- NetCDF, PNETCDF, Jasper, HDF5, Tcl, Boost, FFTW
Support
For any support, contact: shaktisupport@iitkgp.ac.in
PARAM Shakti Usage Report
Publication
There are a total of 210 publications that have been published using PARAM Shakti till 2023.