Last modified: July 03 2020.
Contact: hpchelp [at]

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Call for Proposals for COVID-19 Research at IIT Delhi Supercomputer

  • Considering rising concern of COVID-19 spread in the nation, IIT Delhi is committing a total of INR 1 crore worth of High Performance Computing (HPC) Resource for COVID-19 research to merit based proposals selected from a nationwide call of proposals.
  • This allocations will be made for a 3 month duration to selected proposals for FREE which can be extended to a six month period on evaluating their performance.
  • Each proposal will have a maximum cap of INR 10 Lacs worth of computational resource.
  • Researchers affiliated to the government or private institutions are all welcome to apply to this call. Researchers from private companies may also apply in association with an academic partner
  • All proposals will be evaluated by experts from IIT Delhi.
  • Proposals will be evaluated on first come first serve basis. Deadline for submitting proposals is 15th April. Completed proposal along with the endorsement (see the template) shall be submitted as a single pdf file to covid19hpc[@]
  • For smooth functioning of these projects, HPC-IIT Delhi will provide basic and limited support which will include instructions on job submissions. IIT Delhi will not be able to provide access to licensed software or support for software installation on the HPC.
  • On payment basis, all researchers from India are welcome to use IIT Delhi-HPC for COVID-19 research. IIT Delhi will match the amount contributed for HPC usage for COVID-19 research. In this payment basis mode, IIT Delhi is allocating a budget of INR 5 crore worth of HPC computational resource for the next 6 months. HPC usage charge and other details about IIT Delhi-HPC are mentioned at
  • All proposals need to be submitted with softcopy of endorsement from respective Head of the Institution
  • All publications/other output will acknowledge use of IITD HPC facility as per the following template “The authors thank IIT Delhi HPC facility for computational resources."

The Proposal deadline has ended


For further details or queries, please contact covid19[@]

Approved COVID-19 Proposal List (External)

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Project ID Title Institute Main P.I.
C19-1 Drug Repurposing against SARS-Cov-2 Virus using Machine Learning Tools Indian Institute of Technology Kanpur Nisanth Narayanan Nair
C19-2 Development and validation of homology model of potential targets of COVID-19 for screening of existing drugs and new chemical entities National Institute of Pharmaceutical Education and Research (NIPER) Anoop Kumar
C19-3 Anti-viral drug repurposing to inhibit the CoV-2 entry: A molecular modeling approach targeting ACE-2 and TMPRSS2 NIPER-Ahmedabad Alok Jain
C19-4 Rational Design of Targeted Peptide Antibodies against hC5a, including Broad Spectrum Antiviral Peptides Potentially Targeting SARS-CoV-2 Spike Protein. Indian Institute of Technology Bhubaneswar Soumendra Rana
C19-5 Design of SARS-CoV-2-phobic surfaces to prevent the contamination of virus at public areas using molecular engineered approach Indian Institute of Technology Roorkee (IIT R) Puneet Gupta
C19-6 Numerical investigation of pathogen movement in ventilated indoor space Indian Institute of Technology Indore Shanmugam Dhinakaran
C19-7 Investigation of the therapeutic compound repurposing for COVID19 Visva-Bharati university Tathagata Choudhuri
C19-8 Discovery of myeloperoxidase (MPO) inhibitors for the potential treament of critically ill COVID-19 patients with cytokine storm Birla Institute of Technology and Science, Pilani (BITS Pilani) Vaibhav A. Dixit
C19-9 Country specific correlation of immune system to COVID-19 severity and spread Indian Institute of Information Technology, Nagpur Anuradha Singh
C19-11 Evaluation of natural polyphenols and nucleoside analogues compounds as novel corona virus (SARS CoV-2) main protease (Mpro/ 3CLpro) inhibitors – An in silico docking and molecular dynamics simulation study Indian Institute of Technology Bhubaneswar Snehasis Chowdhuri

PADUM: Hybrid High Performance Computing Facility at IITD

How to Use and setup the environment.

You will need an ssh client to connect to the cluster through your IITD kerberos credentials. CPU login is available through ssh (Use IITD credentials). To copy data use scp to GPU or Mic (Xeon Phi) nodes can be directly accessed through and respectively. Please avoid using gpu and mic for large data transfer.

Once logged in to the system, you have access to your home (backed up) and scratch (not backed up) directories. Please generate an ssh key pair in your .ssh directory to start using PBS. Please report issues to hpchelp[@]


Hardware Specifications

    PHASE 2:
  • Total number of nodes: 184
    CPU nodes: 144
    GPU nodes: 40
    (with one Nvidia V100 cards on each GPU node: 17)
    (with two Nvidia V100 card on each GPU node: 23)

  • Basic Configuration:
    GPU: NVIDIA V100 (32GB 5120 CUDA cores)
    CPU: 2x Intel Xeon G-6148 (20 cores 2.4 GHz) "Skylake"
    RAM: 96GB
  • 8 CPU, 40 GPU nodes have 192 GB RAM each

  • PHASE 1:
  • Total number of compute nodes: 420
    CPU nodes: 238 + 23
    GPU accelerated nodes: 161
  • Basic configuration:
    GPU: 2x NVIDIA K40 (12GB, 2880 CUDA cores)
    [Please contact hpchelp[@]]
    CPU: 2x E5-2680 v3 2.5GHz/12-Core "Haswell"
    RAM: 62 GB

  • 12 CPU and 8 GPU nodes have 500 GB RAM each

  • The cluster can be accessed through 4 general login nodes, 2 GPU login nodes and

  • Storage:
    Home space 678 TB
    Scratch space 3430 TB