National Supercomputing Mission

About

 

About NSM@JNCASR


Welcome to the home page of the High Performance Computing Facility at Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR). In 2020, JNCASR was chosen to be a node under the National Supercomputing Mission (NSM) by the Government of India, and hosts the supercomputing facility called Param Yukti. Param Yukti is part of a network of supercomputing facilities in the country, and caters to the ever increasing demands of high performance computing for scientific and engineering research.

JNCASR facilitates the administration of activities under NSM and the maintenance of Param Yukti. The resources of Param Yukti are shared by the JNCASR community, users directly funded by NSM, neighboring educational institutes, and other users. Some research areas in which Param Yukti is being used are:

  • Computational Fluid Dynamics and Climate Modelling
  • Computational Physics / Materials Science
  • Computational Chemistry
  • Life Sciences and Medicine

Keep an eye on the latest announcements for calls for proposals to use the facility. The application form can be downloaded from here.

System Configuration

 

SYSTEM CONFIGURATION

PARAM Yukti provides a total of 1.8 PETAFLOPS of combined CPU and GPU compute power. PARAM Yukti comprises a total of 166 nodes   ( 156 + 10)  which are distributed as follows:

  •     Login nodes: 4
  •     Service / Master nodes: 6
  •     CPU only nodes: 75
  •     GPU nodes: 42
  •     High Memory nodes: 39

CONFIGURATION OF COMPUTE (CPU) NODES:

  •     CPU: 2 x Intel Xeon, 8268 24 Cores @ 2.9GHz
  •     RAM: 192 GB
  •     Storage: 480 GB SSD

The High Memory nodes have the same base configuration as the compute nodes but with an increased RAM capacity of 768 GB.

CONFIGURATION OF GPU ENABLED NODES:

      With 2 GPU cards: 10 Nodes

  •     CPU: 2 x Intel Xeon, 6248 20 Cores @ 2.5GHz
  •     GPU: 2 x NVIDIA V100 SXM2 16 GB cards 
  •     RAM: 192 GB
  •     HDD: 480 GB SSD

     With 4 GPU cards: 32 Nodes

  •     CPU: 2 x Intel Xeon, 8268 24 Cores @ 2.9GHz
  •     GPU: 4 x NVIDIA V100 SXM2 16 GB cards
  •     RAM: 192 GB
  •     HDD: 480 GB SSD

 

INTERCONNECT

  • PRIMARY NETWORK:  100Gbps Mellanox Infiniband Interconnect network 100% non-blocking, fat tree topology.
  • SECONDARY NETWORK :  10G/1G Ethernet Networking Management network: 1G Ethernet.

STORAGE

  • A separate storage server provides a total of 1PB of storage space for user data.

The entire system operates on LINUX - CentOS 7.6, and uses SLURM job scheduler and the Lustre Parallel File System.

System Architecture

 

Param Yukti is based on a heterogeneous configuration consisting of Intel Xeon Cascade lake CPUs and NVIDIA Tesla V100 GPUs. The system is designed and built by the HPC Technologies team, Centre for Development of Advanced Computing (C-DAC).

 

Network

The compute nodes of Param Yukti are connected by InfiniBand HDR 100 Gbps high speed network and a secondary network for support and maintenance. The network topology is shown in the figure below.

 

Storage

The storage subsystem comprises of the following components:

  • 2x ES7990 Embedded Lustre Parallel File System storage appliance
  • 12x 1.92 TB SAS SSD drives for metadata pool
  • 164x 10 TB 7.2K drives for 2 x data pool (with 1x MR)
 

Software Stack

Software stack is an aggregation of software components that work in tandem to provide support for utilizing the computing resources through different means. The software stack has three layers: (i) the kernel and hardware drivers, (ii) middleware applications, management tools, etc., and (iii) application libraries, programming tools and computational software. Param Yukti supports all major programming languages and tools. For a list of available software see the resources section.


 

People

 

NSM Coordinator


Prof. Srikanth Sastry

Theoretical Sciences Unit
JNCASR
Email: nsm_coord@jncasr.ac.in
Tel: +91 80 2208 2838

Yukti Support


Dr. Vinoth Babu P

Data centre Facility Manager
NSM, JNCASR
Email: yuktisupport@jncasr.ac.in
Office: +91 80 2208 2944

Technical Staff


Mr. P. Shivakumar
Mr. K. Dhamodharan

Email: nsmtechadmin@jncasr.ac.in
Tel: +91 80 2208 2944

Admin staff


Ms. Jayashree B N

Ms. Pooja Karane

Email: nsmadmin@jncasr.ac.in
Tel: +91 80 2208 2945

Mr. Basavaraj T
Email: basavarajt@jncasr.ac.in
Tel: +91 80 2208 2899

 

 

 

Publications

Acknowledging Param Yukti in your publications

Users are required to acknowledge the use of Param Yukti resources in their research publications. Here is a sample acknowledgement:

We acknowledge the Param Yukti facility under the National Supercomputing Mission at Jawaharlal Nehru Centre For Advanced Scientific Research for the computational resources.

Publications arising from the usage of Param Yukti

2024

  1. S. Rudra, D. Rao, S. Poncé, and B. Saha, Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride, Nano Letters, 2024.

  1. N. Shukla, S. Rudra, R. Karanje, D. Mukhopadhyay, P. Das, B. Biswas, M. Baral, M. Gupta, and B. Saha, Strain-Induced Valence Band Splitting Enabling Above-Bandgap Exciton Luminescence in Epitaxial Mg3N2 Thin Films, Chem. Mater., 36, 11, 5563–5573, 2024.

  1. Deka J. K. R, Sahariah B, Sarma B K J, Understanding the Cis-Trans Amide Bond Isomerization of N,N’-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers,  Org. Chem. 89(15), 10419-10433, 2024.

  1. Pavan K. Singeetham, Sumesh P. Thampi and Ganesh Subramanian, A Singularly altered streamline topology allows faster transport from deformed drops, J Fluid Mech 997, A39, 2024.

  1. Hongxiang Xu, Ritam Chakraborty, Dr. Abhishek Kumar Adak, Arpan Das, Dr. Biao Yang, Dennis Meier, Dr. Alexander Riss, Dr. Joachim Reichert, Prof. Shobhana Narasimhan, Prof. Johannes V. Barth, Dr. Anthoula C. Papageorgiou, On-Surface Isomerization of Indigo within 1D Coordination Polymers, Angew. Chem. Int. Ed. 2024, 63, e202319162, 2024.

  1. Sohini Chatterjee, Soumik Ghosh, Nalina Vadakkayil, Tanay Paul, Sanat K. Singha and Subir K. Das, Mpemba effect in pure spin systems: A universal picture of the role of spatial correlations at initial states, Phys. Rev. E 110, L012103, 2024.

  1. Soumik Ghosh, Purnendu Pathak, Sohini Chatterjee and Subir K. Das, Simulations of Mpemba Effect in WATER, Lennard-Jones and Ising Models: Metastability vs Critical Fluctuations, arXiv preprint arXiv:2407.06954, 2024.
  2. Subir K. Das, Finite-size behaviour in phase transitions and scaling in the progress of an epidemic, Physica A 646, 129871, 2024.

  1. Tanay Paul, Nalina Vadakkayil and Subir K. Das, Finite-size scaling in Kinetics of phase separation in certain models of aligning active particles, Phys. Rev. E 109, 064607, 2024.

  1. Soumik Ghosh and Subir K. Das, Nonuiversal aging during phase separation with long-range interaction, Phys. Rev. E 109, L052102, 2024.

  1. R. Jena, F. A. Rahimi, T. Mandal, T. N. Das, S. R. V. Parambil, S. K. Mondal, T. K. Maji, Photocatalytic CO₂ Reduction to Solar Fuels by a Chemically Stable Bimetallic Porphyrin-Based Framework, Inorg. Chem., 2024.

  1. S. Biswas, F. A. Rahimi, K. Saravanan, A. Dey, J. Chauhan, D. Surendran, S. Nath, T. K. Maji, A Triazole-Based Covalent Organic Framework as a Photocatalyst toward Visible-Light-Driven CO₂ Reduction to CH₄, Chem. Sci., 2024.

  1. R. Jena, F. A. Rahimi, S. Karmakar, A. Dey, D. Kalita, T. N. Das, T. K. Maji, Eletron Rich Guest Regulated Enhanced CO₂ Reduction in a Multivariate Porous Coordination Polymer, Adv. Funct. Mater. 2407721, 2024.

  1. F. A. Rahimi, A. Singh, R. Jena, A. Dey, T. K. Maji, GFP Chromophore Integrated Conjugated Microporous Polymers toward Bio-inspired Photocatalytic CO₂ Reduction to CO, ACS Appl. Mater. Interfaces, 16, 43171-43179, 2024.

  1. R. K. Saravanan, S. Karmakar, F. A. Rahimi, A. Dey, R. Jena, D. Maity, T. K. Maji, Metallo-Porous Organic Polymer as a CO₂ Reduction Catalyst toward Selective Solar Fuel Production, Chem. Mater, 36, 13, 6410-6420, 2024.

  1. A. Dey, S. Chakraborty, A. Singh, F. A. Rahimi, S. Biswas, T. Mandal, T. K. Maji, Microwave Assisted Fast Synthesis of a Donor-Acceptor COF towards Photooxidative Amidation Catalysis, Angew. Chem. Int. Ed. E202403093, 2024.

  1. S. Barman, A. Dey, F. A. Rahimi, V. R. Bakuru, R. Jena A. Ghosh, T. K. Maji, Redox-Active Covalent Organic Nanosheet (CON) as Metal-free Electrocatalyst for Selective CO₂ Electro-Reduction to Liquid Fuel Methanol, J. Mater. Chem. A, 12, 13266-13272, 2024.

  1. M. Maji, S. Dutta, R. Jena, A. Dey, T. K. Maji, S. K. Pati, S. Bhattacharyya, Hydrogen Evolution in Neutral Media by Differential Intermediate Binding at Charge-modulated Sites of a Bimetallic Alloy Electrocatalyst, Angew. Chem. Int. Ed. E202403697, 2024.

  1. N. Sikdar, S. Laha, R. Jena, A. Dey, F. A. Rahimi, T. K. Maji, An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO₂ Sieving over C₂H₂, Chem. Sci., 15, 7698-7706, 2024.

  1. A. Dey, J. Pradhan, S. Biswas, F. A. Rahimi, K. Biswas, T. K. Maji, COF-Topological Quantum Material Nano-heterostructure for CO₂ to Syngas Production under Visible Light, Angew. Chem. Int. Ed, e202315596, 2024.

  1. A Singh, S. Barman, F. A. Rahimi, A. Dey, R. Jena, R. Kumar, D. Bhattacharyya, T. K. Maji, Atomically Dispersed CO₂ in a Redox-Active COF for Electrochemical CO₂ Reduction to Ethanol: Unravelling Mechanistic Insight through Operando Studies, Energy Environ. Sci., 17, 2315-2325, 2024.

  1. Sharath Kumar Channarayappa, Sankalp Kumar, N S Vidhyadhiraja, Sumiran Pujari, M P Saravanan, Amal Sebastian, Eun Sang Choi, Shalinee Chikara, Dolly Nambi, Athira Suresh, Siddhartha Lal, D Jaiswal-Nagar, Tomonaga–Luttinger liquid and quantum criticality in spin-12 antiferromagnetic Heisenberg chain C14H18CuN4O10 via Wilson ratio, PNAS Nexus, Volume 3, Issue 9, pgae363, 2024.

  1. S. R. Hassan, Gopal Prakash, N. S. Vidhyadhiraja, T. V. Ramakrishnan, Strong Local Bosonic Fluctuation: The Key to Understanding Strongly Correlated Metals, Physical Review B 110, 075106 – 2024.

2023

  1. S. Rudra, D. Rao, S. Ponce, and B. Saha, Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride, Nano Letters, 23(17), 8211-8217, 2023.

  1. B. Biswas, S. Rudra, R. S. Rawat, N. Pandey, S. Acharya, A. Joseph, A. I. K. Pillai, M. Bansal, M. de hora, D. P. Panda, A. B. Dey, F. Bertram, C. Narayana, J. MacManus-Driscoll, T. Maity, M. Garbrecht, and  B. Saha, Magnetic stress-driven metal-insulator transition in strongly correlated antiferromagnetic CrN, Phys. Rev. Lett., 131, 126302, 2023.

  1. D. Mukhopadhyay, S. Rudra, B. Biswas, P. Das, and B. Saha, Surface scattering-dependent electronic transport in ultrathin scandium nitride films, Appl. Phys. Lett., 123, 192101, 2023.

  1. Deka J. K. R, Sahariah B, Sarma B K J, Understanding the Cis-Trans Amide Bond Isomerization of N, N’-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers, Org. Chem. 89(15), 10419-10433, 2023.

  1. Baruah K, Kalita D, Sahariah B, Deka J. K. R, Vishnoi P, Sarma B. K, Sidechain-Backbone Tetrel Bonding Interactions Provide a General Mechanism for transpeptoid Stabilization, Chem. Eur. J. 29(32), p.e202300178, 2023.

  1. Deka J. K. R, Borah D, Das P, Sahariah B, Vishnoi P, Sarma B K, Synergistic n→π* and nN→π*Ar interactions in C-terminal modified prolines: Effect on Xaa-Pro cis/trans equilibrium, Chem. Commun. 59(40), pp.6080-6083, 2023.

  1. Anshulata, Vishnoi P, Sarma B K, Conformational Studies of β-Azapeptoid Foldamers: A New Class of Peptidomimetics with Confined Dihedrals, Chem. Eur. J. 30(6), p.e202303330, 2023.

  1. Ganesh Subramanian, Pavan K. Singeetham and Sumesh P. Thampi, An altered streamline topology allows deformed drops to transport mass faster than spherical ones, Compflu, 2023.

  1. Saptarshi Chakraborty, Gauttam Dash, Subhashri Mannar, Krishna Maurya, Arpan Das, Shobhana Narasimhan, Bivas Saha, Ranjani Viswanatha, Non-resonant Exciton-Plasmon Interaction in Metal-Chalcogenide CuxS/ Perovakite (CsPbBr3) Based Colloidal Heterostructure, J. Phys. Chem. C, 127, 31, 15353–15362, 2023.

  1. Y. Goswami, S. Sastry, Kinetic reconstruction of free energies as a function of multiple order parameters, J. Chem. Phys. 158, 144502, Apr 2023.

  1. M. Adhikari, S. Karmakar, S. Sastry, Dependence of the glass transition and jamming densities on spatial dimension, Phys. Rev. Lett. 131(16), 168202, 2023.

  1. Anirudha Mirmira and N. S. Vidhyadhiraja, Steady-state dc transport through an Anderson impurity coupled to leads with spin-orbit coupling, Phys. Rev. B 107, 085107, 2023.

  1.  V.M.  Kulkarni, N. S. Vidhyadhiraja, Sudeshna Sen, Emergent soft-gap Anderson models at quantum criticality in a lattice Hamiltonian within dynamical mean field theory, Phys. Rev. B 107, 205104, 2023.

2022

  1. K. Upadhya, R. Kumar, M. Baral, S. Tripathi, S. N. Jha, T. Ganguli, and B. Saha, Electronic structure of rare-earth semiconducting ErN thin films determined with synchrotron-radiation photoemission spectroscopy and first-principles analysis, Phys. Rev. B, 105, 075138, 2022.

  1. K. Upadhya, R. Kumar, Q. Li, B. Sun and B. Saha, Vibrational Spectrum and Thermal Conductivity of Rare-earth Semiconducting ErN thin films, Phys. Status Solidi Rapid Research Letters, 2200029, 2022.

  1. Kalita D, Sahariah B, Mookerjee S P, Sarma B K, Strategies to Control the cis-trans Isomerization of Peptoid Amide Bonds, Chem Asian J. 17(11), p.e202200149, 2022.

  1. Arun Kumar Varanasi, Navaneeth K Marath, Ganesh Subramanian, The rotation of a sedimenting spheroidal particle in a linearly stratified fluid, Journal of Fluid Mechanics, 933, A17, 2022.

  1. Arun Kumar Varanasi, Ganesh Subramanian, Motion of a sphere in a viscous density stratified fluid, Journal of Fluid Mechanics, 949, A29, 2022.

  1. Samadhan Kapse, Shobhana Narasimhan and Ranjit Thapa, Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for eNRR, Chemical Science, 10.1039/D2SC02625B, 2022.

  1. Arunava Kar, Arpan Das, Smruthi Ranjan Mohanty, Shobhana Narasimhan and Krishnakumar S. R. Menon, Evolution of geometric and electronic structures of oxygen-induced superstructures on Mo (110) surface: A LEED, ARPES, and DFT study, Physical Review B, 106, 045128, 2022.

  1. Rishav Harsh, Sourav Mondal, Devina Sharma, Mehdi Bouatou, Cyril Chacon, Maxim Ilyn, Celia Rogero, Vincent Repain, Amandine Bellec, Yann Girard, Sylvie Rousset, Raman Sankar, Woei Wu Pai, Shobhana Narasimhan, Jérôme Lagoute, Identification and Manipulation of Defects in Black Phosphorus, The Journal of Phys. Chem. Lett., 13, 27, 6276–6282, 2022.

  1. A. Bupathy, D. Frenkel, S. Sastry, Temperature Protocols to Guide Selective Self-Assembly of Competing Structures, PNAS 119(8), Feb 2022.

  1. H. Bhaumik, G. Foffi, S. Sastry, Avalanches, Clusters and Structural Change in Cyclically Sheared Silica Glass, Phys. Rev. Lett. 128(9), 098001, Feb 2022.

  1. V. Babu, S. Sastry, Criticality and marginal stability of the shear jamming transition of frictionless soft spheres, Phys. Rev. E. 105 (4) L042901, Apr 2022.

  1. P. Das, S. Sastry, Crossover in dynamics in the Kob-Andersen binary mixture glass forming liquid, J. Non-Crystalline Solidas:X, 100098, Jun 2022.

  1. Y. Goswami, S. Sastry, Liquid-liquid phase transition in deeply supercooled Stillinger-Weber silicon, PNAS Nexus 1:4 pgac204, 2022.

  1. Vinayak M. Kulkarni, Amit Gupta, and N. S. Vidhyadhiraja, Kondo effect in a non-Hermitian PT-symmetric Anderson model with Rashba spin-orbit coupling, Phys. Rev. B 106, 075113, 2022.

2021

  1. R. Kumar, S. Nayak, V. Bhatia, A. I. K. Pillai, M. Garbrecht, M. Gupta, S. M. Shivaprasad, and B. Saha, Clustering of Oxygen Point Defects in Transition Metal Nitrides, J. Appl. Phys., 129, 055305, 2021.

  1. K. Upadhya, D. Rao, B. Biswas, R. Kumar, V. Bhatia, A. I. K. Pillai, M. Garbrecht, and B. Saha., Reducing high carrier concentration in rocksalt-Al1-xScxN with Mg acceptor doping, Appl. Phys. Lett., 118, 202107, 2021.

  1. Sahariah B, Sarma B K, Deciphering the Backbone Noncovalent Interactions that Stabilize Polyproline II Conformation and Reduce cis Proline Abundance in Polyproline Tracts, J. Phys. Chem, B, 125, 49, 13394-13405, 2021.

  1. Deka J. K. R, Kalita D, Sahariah B, Sarma B K, nN → π* Ar interactions stabilize the E-ac isomers of arylhydrazides and facilitate their SNAr autocyclizations, Chem. Commun, 57, 11236, 2021.

  1. Kalpita Baruah, Sahariah B, Sakpak S. S, Deka J. K. R, Bar A. K, Bagchi S, Sarma B K, Stabilization of Azapeptides by N(amide)….HN(amide) Hydrogen Bonds,  Org. Lett. 23, 13, 4949-4954, 2021.

  1. Deka J. K. R, Sahariah B, Sakpal S. S, Bar A. K. Bar, Bagchi S, Sarma B K, Evidence of an nN(amide) → π*Ar Interaction in N-Alkyl-N,N′-diacylhydrazines Org. Lett. 23, 18, 7003-7007, 2021.

  1. Arun Kumar Varanasi, Navaneeth K Marath, Ganesh Subramanian, The rotation of a sedimenting anisotropic particle in a linearly stratified ambient, arXiv preprint arXiv:2102.08580, 2021.

  1. Abhishek K Adak, Devina Sharma and Shobhana Narasimhan, Blue and black phosphorene on metal substrates: a density functional theory study, J. Phys.: Condens. Matter 34 084001, 2021.

  1. Dennis Meier, Abhishek K Adak, Peter Knecht, Joachim Reichert, Sourav Mondal, Nithin Suryadevara, Senthil Kumar Kuppusamy, Keitaro Eguchi, Matthias K. Muntwiler, Francesco Allegretti, Mario Ruben, Johannes V. Barth, Shobhana Narasimhan, and Anthoula C. Papageorgiou, Angew, Rotation in an Enantiospecific Self-Assembled Array of Molecular Raffle Wheels, Chem. Int. Ed. 60, 26932–26938, 2021.

  1. Debdipto Acharya, Kanchan Ulman, Shobhana Narasimhan, Leveraging Polar Discontinuities to Tune the Binding of Methanol on BCN and Graphene–BN Lateral Heterostructures, J Phys Chem. C, 125 (27), 15012-15024, 2021.

  1. V. Babu, D. Pan, Y. Jin, B. Chakraborty and S. Sastry, Dilatancy, shear jamming and a generalized jamming phase diagram of frictionless sphere packings, Soft Matter, 2021, 17, 3121-3127, Feb 2021.

  1. H. Bhaumik, G. Foffi, S. Sastry, the role of annealing in determining the yielding behaviour of glasses under cyclic shear deformation, PNAS 118(16) e2100227118, Apr 2021.

2020

  1. S. Chakraborty, H. Uchiyama, M. Garbrecht, V. Bhatia, A. I. K. Pillai, J. P. Feser, D. Adroja, S. Langridge and B. Saha. Phononic Bandgap and Phonon Anomalies in HfN and HfN/ScN Metal/Semiconductor Superlattices Measured with Inelastic X-ray Scattering, Appl. Phys. Lett., 117, 111901, 2020.

  1. N. Pantha, K. Ulman and S. Narasimhan, Adsorption of methane on single metal atoms supported on graphene: role of electron back-donation in binding and activation, J. Chem. Phys., 2020.

  1. M. Bouatou, S. Mondal, C. Chacon, F. Joucken, Y. Girard, V. Repain, A. Bellec, S. Rousset, S. Narasimhan, R. Sporken, Y. Dappe and J. Lagoute, Direct observation of the reduction of a molecule on nitrogen pairs in doped graphene, Nano Letters, 20, 6908 – 6913, 2020. 

  1. D. Sengupta, S. Goswami, R. Banerjee, M.J. Guberman-Pfeffer, A. Patra, A. Dutta, R. Pramanick, S. Narasimhan, N. Pradhan, V. Batista, T. Venkatesan and S. Goswami, Size-selective Pt siderophores based on redox active azo-aromatic ligands, Chemical Science, 11, 9226 – 9236, 2020.

  1. Sukanya Ghosh, Nisha Mammen and Shobhana Narasimhan, Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles, J. Chem. Phys., 152, 144704, 2020.

  1. Debdipto Acharya, Kasinath Ojha, Nisha Mammen, Preeti Dagar, Sourav Mondal, Ashok K Ganguli and Shobhana Narasimhan, Enhanced hydrogen evolution reactivity on Mo2C-Mo2N composites, Bulletin of Materials Science, In Press, 2020.

  1. Shobhana Narasimhan, A handle on the scandal: data driven approaches to structure prediction, APL Materials, 8, 040903, 2020.

  1. Pradeep Ramakrishnan, Debdipto Acharya, Priyanka Jain, Kushagra Gahlot, Anu Yadav, Andrea Camellini, Margherita Zavellani-Rossi, Giulio Cerullo, Chandrabhas Narayana, Shobhana Narasimhan and Ranjani Viswanatha, Harvesting Delayed Fluorescence in Perovskite Nanocrystals using Spin Forbidden Mn d states, ACS Energy Letters, 5, 353 – 359, 2020.

  1. P. Das, Vinutha H. A. and S. Sastry, Unified phase diagram of reversible-irreversible, jamming and yielding transitions in cyclically sheared soft sphere packings, PNAS 117(19), 10203-10209, Apr 2020.

Resources

User Account Creation

To begin using Param Yukti, you need to get an account first. Download the user account creation format from here. Depending on your category, the account creation process may be different:

Access and usage policies for users under different categories

Stage 1:

  1. JNCASR Internal users:

    Download the form from the above link. Send the duly filled account request form with the signature of the faculty member (the research advisor) to: nsmadmin@jncasr.ac.in and nsmtechadmin@jncasr.ac.in

  2. NSM funded users (PIs who have approved grants under NSM, either in the present call or earlier if the grants are still operational):

    Download the form from the above link. Send the duly filled account request form to: nsmadmin@jncasr.ac.in and nsmtechadmin@jncasr.ac.in, along with an e-copy of the approval note of sanctioned usage and computing charges. This will be forwarded after vetting by the Host Institute coordinator.

  3. Users from Neighbouring Institutions and Industry/Private Organizations:

    Download the form from the above link. Send the duly filled account request forms to the administrative email ID (nsmadmin@jncasr.ac.in or yuktisupport@jncasr.ac.in) Usage charges for using supercomputing facilities (May apply):

Usage charges for using supercomputing facilities (May apply):

CPU Rs. 0.96 per CPU core hour
GPU Rs. 42 per GPU card hour

Note: While filling the user account creation form please provide concrete information under
(i) “Brief description of the project” which will include the research goals and nature of work.
(ii) “Proposed work on PARAM Yukti” which should specify the computations planned to be undertaken.
(iii) “Requirement of resources” which should specify the estimated CPU-core hours, and GPU-hours required for the project duration specified, and any software requirements.

Please contact yuktisupport@jncasr.ac.in and nsmadmin@jncasr.ac.in if you need any other clarifications.

Stage 2:

After the submission of the duly filled account request form with the required documents and after we are getting approval from the head of the NSM Department,

  • You will receive an email to your official ID from the Yukti Support team intimating the creation of your account along with a temporary password for your account.
  • Log in to Param Yukti and change the temporary password before you start using Param Yukti. Changing the password will enable you to keep your account secure.

Your password will be valid for 90 days. On expiry, you will be prompted to change your password, on attempting to log in.

Forgot Password

Please write to yuktisupport@jncasr.ac.in to get the password reset. The password will be reset for the user and an email will be sent intimating the same. Then the user can log in with the temporary password and can set a new password of his/her choice.

Or

Please raise a ticket regarding this issue and the system administrators will resolve your problem, as described in the support page.

 


Getting StartedTo start using Param Yukti, you first need to create a user account, the details of which can be found on the account creation page. Once you have received your username and password, you can use Param Yukti as described below.

Accessing Param YuktiLogin to Param Yukti from your Linux/Unix command line:

For internal users:

$ ssh username@hostname

 

For external users:

$ ssh username@hostname -p port_number

The hostname and the port number can be found in the email you receive on creation of your account. On login, you will be redirected to one of the four login nodes. The login nodes are only used for file manipulations and visualizations. Do not run programs in the background on the login nodes. Jobs should only be submitted via the job submission script as described below.

Loading the necessary modules

To compile and run jobs, you need to first load the modules needed by your job (libraries, compilation environments, etc).

To know which modules are available to use, type the command:
$ module avail

Load the necessary modules. For instance, if your application needs the Intel compiler, do:
$ module load compiler/intel/2018.2.199

To unload the module, type:
$ module unload compiler/intel/2018.2.199

To see which module is loaded, type:
$ module list

Unload all loaded modules:
$ module purge

Submitting a job

SLURM is the JOB submission system used in Param Yukti. Create a slurm batch script as follows:

#!/bin/bash
#SBATCH --job-name=serial_job_test        # Job name
#SBATCH --mail-type=END,FAIL           # Mail events (NONE, BEGIN, END, FAIL, ALL)
#SBATCH --mail-user=email@example.com   # Where to send mail
#SBATCH --partition=standard          # Specify partition (standard,gpu,hm)
#SBATCH --nodes=2                # Maximum number of nodes to be allocated
#SBATCH --ntasks-per-node=12         # Maximum number of tasks on each node
#SBATCH --ntasks=1               # Run on a single CPU
#SBATCH --cpus-per-task=4           # Number of CPU cores per task
#SBATCH --mem=1gb              # Job memory request
#SBATCH --time=00:05:00           # Time limit hrs:min:sec
#SBATCH --output=serial_test_%j.log     # Standard output and error log

### For GPU Jobs ###
#SBATCH --partition=gpu
#SBATCH --gres=gpu:2 # The number of GPUs required

### Clear any previously loaded modules ###
module purge
###Load the modules necessary for the job###
module load compiler/intel/2018.2.199

###Working Directory###
cd <working_directory>

MACHINE_FILE=nodes.$SLURM_JOBID
scontrol show hostname $SLURM_JOB_NODELIST > $MACHINE_FILE

mpiexec.hydra -machinefile $MACHINE_FILE -n <NP> <executable>

Users can also download the example script from here and modify it to their needs.

Once the submit script has been created, the job can be submitted as follows:
$ sbatch script.sh

 

Managing jobs and monitoring resources

To get information about the status of which nodes are up:
$ sinfo

To show the list of submitted jobs:
$ squeue

To get the availability status of compute nodes:
$ sinfo

To delete a job
$ scancel <job-id>

To get full information about your job
$ scontrol show job <job-id>

To hold the job
$ scontrol hold <job-id>

To release the job
$ scontrol release <job-id>

 

For detailed information refer the Param Yukti user manual.

List of available applications

The following list of software is available in Param Yukti.

  • openfoam
  • abinit
  • amber
  • bowtie2
  • quantum_espresso
  • charliecloud
  • regcm
  • roms
  • vasp
  • gromacs
  • hmmer
  • lammps
  • mpiblast
  • nektar
  • nwchem
  • WRF
  • Regcm
  • openmolcas

Use the "module avail" command to know the available compilers, libraries and applications.

If users require the installation of any other software, they should contact yuktisupport@jncasr.ac.in

Support

Getting Help – Param Yukti Support

All technical issues relating to the usage of Param Yukti are handled through a ticketing system. This helps keep track of the issues and the state of their resolution. Please refer to the following steps to generate a ticket related to the issue you are experiencing. Your ticket will be assisted by the Yukti Support team. The ticket will be closed when the related issue is resolved. You can generate a new ticket for any of the issues that you are experiencing.

Steps to Create a New Ticket

  1. Go to https://paramyukti.jncasr.ac.in/support/login.php in your browser.
  2. Sign in using the username and password that you use for logging in to Param Yukti.
  3. Select a help topic from the drop-down list and then click on Create Ticket .
  4. Please fill in the details of your issue in the fields given and then click on create a ticket.

Once the ticket is generated, an acknowledgement email will be sent to your official email address. The e-mail will also contain the ticket number and reference to the ticket that you have generated. In case of any difficulty while accessing Yukti Support you can reach us via email at yuktisupport@jncasr.ac.in

Updates

Current events and announcements


Archives

OpenACC bootcamp​ under NSM:

Centre for Development of Advanced Computing (C-DAC), under the aegis of the National Supercomputing Mission (NSM) in association with NVIDIA & OpenACC, has organised a five day training program (bootcamp) on accelerating applications on Nvidia GPUs from 16-Jan-2023 and 20-Jan-2023. Apply here: click here

R&D project proposals are invited under National Super Computing Mission (NSM). Last date to submit the applications Nov 18, 2020. Apply here: http://www.serc.iisc.ac.in/projects/nsm

Call for R&D project proposals under NSM:

OpenACC Bootcamp​ under NSM:

Apply here: https://docs.google.com/forms/d/1xqw1cvzuylKSvlkn5z798OTuZZBKUteOzQbbztHw2Xo/edit?usp=sharing

JNCASR and NVIDIA with OpenACC are organizing a four-day training program (Bootcamp) on accelerating applications on Nvidia GPUs on 20th June 2022 to 24th June 2021.

Under the HR development activities of NSM, an online course on “Introduction to Deep Learning” has been planned. It will start on June 28, 2021. The details of the course and the link for registration are available here: https://iitgoa.ac.in/aishikshadl

OpenACC bootcamp​ under NSM:

Centre for Development of Advanced Computing (C-DAC) under the aegis of the National Supercomputing Mission (NSM) in association with NVIDIA & OpenACC, is organizing a two-day training program (bootcamp) on accelerating applications on Nvidia GPUs on 17-Feb-2021 and 18-Feb-2021. Apply here: https://gpuhackathons.org/event/c-dac-india-gpu-bootcamp

Contact Us

      For Technical Support
       Yukti Support
       1st floor, BMS Room
       SSL Building
       JNCASR Jakkur
       Bangalore
       Pin-560064
       Email: yuktisupport@jncasr.ac.in; nsmtechadmin@jncasr.ac.in
       Tel: +91 80 2208 2944