Materials and Computational Chemistry Applications on HPC platform

Online Course on OpenMP Programming

Organized by NSM Nodal Centre for Training in HPC and AI

Event Details
Date: Saturday, October 21, 2023 to Sunday, November 19, 2023
Venue: Online
Organized by: IIT Madras under NSM
 

 
About the Course
This online course introduces participants to OpenMP programming for shared-memory parallelism. Delivered via live lectures and interactive doubt sessions, it covers essential topics in parallel programming using OpenMP.
Topics Covered:
  • Introduction to OpenMP
  • Runtime libraries and Hello World
  • Scope and error checking
  • Data races and critical sections
  • Atomics, reduction, and parallel for constructs
  • Variable scoping: private, shared, default
  • Firstprivate, lastprivate, and threadprivate clauses
  • Loop scheduling and performance tuning
  • Applications: matrix operations and convolution
 

 
Schedule
Each session is 90 minutes long, including Q&A. The final session includes an online exam (MCQ format).
  • October 21 – Introduction
  • October 22 – Runtime Libraries
  • October 28 – Scope and Error Checking
  • October 29 – Data Race and Critical Section
  • November 4 – Atomics and Parallel For
  • November 5 – Variable Scoping
  • November 11 – Advanced Scoping Clauses
  • November 18 – Loop Scheduling
  • November 19 – Applications
  • November 25 – Online Exam
 

 
Instructor
  • Jash Khatri, Software Engineer at Microsoft
 

 
Certificate
Participants who attend at least 8 of the 9 sessions and complete the exam will receive a course completion e-certificate. The exam score will not affect certification.
 

 
Registration
  • Registration is free but mandatory
  • E-meeting details will be emailed to registered participants two days before the course begins
  • Ensure correct name and email for certificate and communication
 

 
Acknowledgments
Logistics support provided by Prof. Karthik Raman and the International Conference Secretariat, Office of Global Engagement, IIT Madras.
 

 
Contact
For more details and updates, visit the official course page.

GPU Application Hackathon – 2023

GPU Application Hackathon – GAH 2023

Organized by C-DAC and NSM in collaboration with NVIDIA and OpenACC

Event Details
Date: Tuesday, October 10, 2023 to Friday, October 20, 2023
Venue: Online and IISc Bangalore
 

 
About the Hackathon
The NSM Open Hackathon (GAH 2023) offers a collaborative environment for scientists to accelerate AI and HPC research. Participants will work with expert mentors from academia, national labs, and industry to port, optimize, and accelerate scientific applications on modern architectures including CPUs and GPUs.
Goals:
  • Accelerate and optimize scientific applications
  • Gain hands-on experience with supercomputing hardware
  • Develop a roadmap for future application scaling
Format:
  • Hybrid: Online and in-person at IISc Bangalore
  • Mentorship-driven breakout sessions
  • Daily SCRUMs and final presentations
 

 
Schedule Highlights
  • October 10: Virtual Team/Mentor Meeting
  • October 17–20: In-person Hackathon Days at IISc
  • Daily SCRUMs, breakout coding sessions, and final team presentations
 

 
Participation & Logistics
  • Open to all, with priority for C-DAC/NSM affiliated scientists
  • Minimum two team members must attend in person
  • Accommodation at IISc provided (twin-sharing basis)
  • Participants responsible for travel arrangements
  • Virtual participation available upon request
 

 
Preparation & Requirements
  • Teams should be familiar with their codebase
  • No advanced GPU skills required, but basic knowledge recommended
  • Projects must include a license and be detailed in the application
  • Access to NSM compute systems will be provided during the event

Materials and Computational Chemistry Applications on HPC platform

Workshop on Materials and Computational Chemistry Applications on HPC Platform

Organized under the National Supercomputing Mission (NSM)

Event Details
Date: Monday, October 9, 2023 to Wednesday, October 11, 2023
Venue: Pune and Online
Registration: Google Form
 

 
About the Workshop
This workshop showcases software developed under NSM for computational studies of atoms, molecules, clusters, alloys, biomolecules, and composite materials using HPC. Sessions include lectures and live demonstrations by the developers.
Participation:
  • Limited to 35 in-person participants (expenses covered for research fellows, PhD students, and postdocs)
  • Open to all via online mode
 

 
Featured Software Tools
MTASpec – GUI for Quantum Chemistry
Developed using fragmentation-based molecular tailoring for efficient ab initio vibrational spectra computation. Integrates Gaussian suite and runs on Linux.
[Prof. Shridhar Gadre, SPPU]

AMDKIIT – Linear Scaling DFT
Hybrid DFT-based MD program supporting plane-wave and pseudo-potential calculations with libXC integration. Designed for exascale systems.
[Prof. Nisanth Nair, IIT Kanpur]

ANN-CI – Multi-Reference QM/MM Methods
Combines quantum mechanics and machine learning for charge transfer and excited states in complex systems.
[Prof. Debashree Ghosh, IACS Kolkata]

LITESOPH – Excited State Dynamics Toolkit
Python-based toolkit for simulating photo-induced phenomena using TDDFT codes like OCTOPUS, GPAW, and NWChem.
[Prof. Varadharajan Srinivasan, IISER Bhopal]

µ2Mech – Multiscale Microstructure Modelling
Integrates atomistic and phase-field simulations for predicting elastic properties during phase transformations.
[Prof. Rajdip Mukherjee, IIT Kanpur]
 

 
Important Dates
  • Start of Registration: September 9, 2023
  • Last Date for Registration: September 18, 2023
  • Announcement of Participants: September 19, 2023
  • Workshop Dates: October 9–11, 2023

Programming AMD GPUs with Hip

Online Course on Programming AMD GPUs with Hip

Organized by NSM Nodal Centre for Training in HPC and AI

Event Details
Date: Monday, October 9, 2023 to Saturday, October 14, 2023
Venue: Online
Organized by: IIT Madras under NSM
 

 
About the Course
This online course introduces participants to programming AMD GPUs using the HIP framework. Delivered via live lectures, it covers key concepts such as computation, memory management, and synchronization in HIP.
Topics Covered:
  • Introduction to AMD GPUs and HIP
  • HIP Computation
  • HIP Memory
  • HIP Synchronization
  • Optimization and advanced HIP topics
Schedule:
  • October 9 – Introduction to AMD GPUs and HIP
  • October 10 – HIP Computation
  • October 11 – HIP Memory
  • October 12 – HIP Synchronization
  • October 13 – Optimization / Extra Topics
  • October 14 – Reserve Day
 

 
Prerequisites
  • Basic programming experience in C/C++
  • No prior knowledge of CUDA required
 

 
Instructor
  • Mathew Thomas, Master’s Student, CSE, IIT Madras
 

 
Certificate
Participants who attend all sessions will receive a course completion e-certificate.
 

 
Registration
  • Free but mandatory
  • E-meeting details will be shared with registered participants
  • Check spam folders for group invite by October 7
 

 
Contact
For more details and registration, visit the official course page.

GPU Computing with MATLAB

Online Course on GPU Computing with MATLAB

Organized by NSM Nodal Centre for Training in HPC and AI

Event Details
Date: Saturday, September 30, 2023 to Saturday, November 18, 2023
Venue: Online
Organized by: IIT Madras under NSM
Site URL: Course Page
 

 
About the Course
This course introduces participants to GPU computing using MATLAB, combining theory sessions with hands-on practice. Topics range from MATLAB fundamentals to CUDA programming and GPU acceleration techniques.
Topics Covered:
  • MATLAB basics and programming
  • Data types, arrays, logic, and control structures
  • Functions, data import/export, and visualization
  • Image processing in MATLAB
  • Introduction to GPU and CUDA
  • CUDA program flow, memory management, and thread organization
  • GPU computation hierarchy and memory types
  • Running PTX and CUDA code on GPU
  • Case studies in GPU computing
 

 
Schedule
Each day includes a morning theory session and an afternoon hands-on or extended theory session.
  • September 30 – MATLAB Introduction & Programming
  • October 3 – Data Types & Arrays
  • October 7 – Logic, Control & Debugging
  • October 10 – Functions & Data Handling
  • October 14 – Visualization & Image Processing
  • October 17 – GPU Basics & CUDA Hello World
  • October 21 – CUDA Flow & Thread Blocks
  • October 28 – GPU Hierarchy & Memory Types
  • November 4 – GPU Computing with MATLAB & PTX
  • November 18 – CUDA Execution & Case Studies
  • November 25 – Online Exam (MCQ format)
 

 
Instructor
  • Dr. Mullai Thiagu, Visiting Assistant Professor, KREA University
 

 
Certificate
Participants who attend at least 15 of the 20 sessions and complete the exam will receive a course completion e-certificate. Exam scores will not affect certification.
 

 
Registration
  • Registration is free and mandatory
  • Meeting details will be emailed two days before the course begins
  • Ensure accurate name and email for certification
 

 
Acknowledgments
Logistics support provided by KREA University.

NSM Capacity Building Program

NSM Capacity Building Program

Implemented by C-DAC under the National Supercomputing Mission (NSM)

Event Details
Date: Friday, September 8, 2023 to Thursday, February 22, 2024
Venue: Pune
Site URL: Program Page
 

 
About the Program
The NSM Capacity Building Program is a skill development initiative by MeitY, Government of India, aimed at empowering professionals from Scheduled Castes (SC) and Scheduled Tribes (ST) communities in High Performance Computing (HPC) domains.
Program Objectives:
  • Train graduates in Engineering and postgraduates in Science disciplines
  • Build expertise in HPC system administration and application programming
  • Support national HPC capability development under NSM
Domains Offered:
  • PG-DHPCSA: HPC System Administration
  • PG-DHPCAP: HPC Application Programming
 

 
Eligibility
  • Must belong to SC/ST communities in India
  • Graduation in Engineering or postgraduation in Science/Mathematics/Computational Sciences
  • Minimum 55% in qualifying degree
  • Final-year students may apply for Pre-CAT course
 

 
Pre-CAT Course
  • 200-hour preparatory course for C-DAC Common Admission Test (C-CAT)
  • Free for selected candidates (INR 15,000 waived)
  • Refundable caution deposit: INR 5,000
 

 
PG Diploma Benefits
  • Free training (worth INR 90,000–1,15,000)
  • Hands-on sessions with C-DAC HPC experts
  • Access to HPC infrastructure
  • Monthly stipend: INR 1,500 for 6 months
  • Placement support via National Common Campus Placement Programme (NCCPP)
 

 
Important Dates
  • Last Date for Registration: July 5, 2023
  • Program Duration: September 8, 2023 to February 22, 2024
 

 
Training Centres
Training is conducted at C-DAC’s Advanced Computing Training School (ACTS), Pune, and affiliated centers across India. For full list of centers and contact details, visit the NSM Program Homepage.

Training School on WRF Modeling system

Training School on WRF Modeling System

Organized by NSM in association with CDAC and South Asian Meteorological Association (SAMA)

Event Details
Date: Monday, April 3, 2023 to Sunday, April 30, 2023
Training Period: April 3 to April 20, 2023
Venue: Online
 

 
About the Training School
This training school focuses on the Weather Research and Forecasting (WRF) Modeling System, a widely used numerical weather prediction system. It is designed to equip participants with the skills to run and analyze WRF simulations in a high-performance computing (HPC) environment.
Organizers:
  • National Supercomputing Mission (NSM)
  • Centre for Development of Advanced Computing (C-DAC)
  • South Asian Meteorological Association (SAMA)
Training Format:
  • Live online lectures and demonstrations
  • Hands-on sessions with WRF tools and datasets
  • Guidance from domain experts in meteorology and HPC
 

 
Contact
For queries related to the training school, please contact: nsm-training@cdac.in
 

 
Note
The webinar has concluded. For future training opportunities, please refer to the GoTo Webinar page or contact the organizers directly.

GPU Application Hackathon 2022

GPU Application Hackathon – GAH 2022

Organized by OpenACC.org in association with C-DAC, IIT Bombay, and NVIDIA under NSM

Event Details
Date: Wednesday, September 7, 2022 to Wednesday, September 14, 2022
Venue: Online and IIT Bombay
 

 
About the Hackathon
The GPU Application Hackathon 2022 provided a platform for scientists and developers to explore advanced parallelization and optimization techniques for scaling scientific and AI applications on GPGPUs. Participants collaborated with mentors from academia and industry to accelerate their projects using modern GPU technologies.
Objectives:
  • Investigate cutting-edge parallelization strategies
  • Optimize scientific and AI workloads for GPU architectures
  • Enable participants to leave with accelerated applications or a clear roadmap
Organizing Partners:
  • OpenACC.org
  • Centre for Development of Advanced Computing (C-DAC)
  • IIT Bombay
  • NVIDIA
 

 
Participation
  • Open to researchers, developers, and students working on GPU-enabled applications
  • Mentorship provided by experts in HPC and AI
  • Hybrid format: online and in-person sessions at IIT Bombay
 

 
Contact
For more details and future events, visit the Open Hackathons event page.

NPTEL Course on Accelerated Applied Artificial Intelligence

NPTEL Course on Accelerated Applied Artificial Intelligence

Offered by IIT Palakkad, KLE Technological University, and NVIDIA under the NPTEL/SWAYAM platform

Event Details
Date: Monday, July 25, 2022 to Friday, October 14, 2022
Venue: Online
 

 
About the Course
This 12-week elective course introduces participants to the compute capabilities and system software required for deploying AI-based solutions in industrial domains such as healthcare and smart cities. It includes demonstrations of two end-to-end industrial use cases and hands-on exposure to state-of-the-art AI SDKs.
Key Topics:
  • AI system hardware and accelerators (CPU, GPU, RAM, storage)
  • System software: OS, virtualization, cloud platforms
  • Containers, orchestration tools, and DeepOps with Kubernetes
  • Accelerated frameworks: PyTorch, TensorFlow
  • Distributed AI computing: MPI, NCCL, Horovod
  • Inference optimization, accelerated analytics, ETL pipelines
  • Applied AI use cases: Smart City (video analytics), Healthcare (federated learning)
 

 
Instructors
  • Prof. Satyajit Das – IIT Palakkad
  • Prof. Satyadhyan Chickerur – KLE Technological University
  • Prof. Bharatkumar Sharma – NVIDIA
  • Prof. Adesuyi Tosin – Kumoh National Institute of Technology
  • Prof. Ashrut Ambastha – NVIDIA
 

 
Eligibility & Certification
  • Intended for PhD scholars, PG students, senior UG students, and working professionals
  • Prerequisites: Familiarity with computer organization, HPC, machine learning, and deep learning
  • Certification available via proctored exam (optional, ₹1000 fee)
  • Final score = 25% assignment + 75% exam; minimum thresholds apply
  • E-certificate includes name, photo, score breakdown, and verification link
 

 
Course Status
  • Course Type: Elective
  • Level: Postgraduate
  • Language: English
  • Credit Points: 3
  • Course Status: Completed

NSM India MD and QC GPU Bootcamp

NSM India MD and QC GPU Bootcamp

Organized under the National Supercomputing Mission (NSM)

Event Details
Date: Tuesday, July 5, 2022 to Thursday, July 7, 2022
Venue: Online
 

 
About the Bootcamp
This GPU Bootcamp provided a hands-on learning experience for scientists and researchers interested in accelerating Molecular Dynamics (MD) and Quantum Chemistry (QC) codes using GPU technologies. The event was held virtually across three half days.
Highlights:
  • Day 1: Expert talks from global leaders in MD and QC domains
  • Day 2 & 3: Hands-on sessions for selected participants on NSM cluster
  • Focus on GPU acceleration techniques and parallelization strategies
Target Audience:
  • Researchers and developers in computational chemistry and physics
  • Graduate students and postdocs working on HPC-enabled simulations
  • Professionals seeking to optimize scientific codes for GPU platforms
 

 
Participation
  • Open to all, with selection for hands-on access to NSM cluster
  • Virtual format to ensure broad accessibility
  • Interactive sessions with mentors and domain experts
 

 
Contact
For more details and future bootcamps, visit the Open Hackathons event page.