CAAR-ORNL-HZDR Collaborative Project

Chandrasekaran’s team has selected by the Oak Ridge Leadership Computing Facility (OLCF), through its Center for Accelerated Application Readiness (CAAR), to reach predictive capabilities for high electron energy simulations with the plasma physics application PIConGPU. This work is in collaboration with Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Germany. The goal being to explore hardware and software workflow for the next-generation exascale architecture, Frontier to be in place in 2021. For more, read Eurekalert.

ECP SOLLVE: OpenMP Validation and Verification Testsuite Project

The OpenMP language features have been evolving to meet the rapid development in hardware platforms. The papers focus on evaluating implementations of OpenMP 4.5 target offload features in compilers such as Clang, XL and GCC that are an integral part of the software harness on supercomputers and clusters. We use Summit (Top supercomputer in the world as of November 2018) as one of our experimental setup. Such an effort is particularly critical on such supercomputers as that is being widely used by application developers to run their scientific codes at scale. Our tests not only evaluate the OpenMP implementations but also expose ambiguities within the OpenMP 4.5 specification. We also assess the overhead of the different OpenMP runtimes in relationship to the different directives and clauses. For more, read Analysis of OpenMP 4.5 Offloading in Implementations: Correctness and Overhead and OpenMP 4.5 Validation and Verification Suite for Device Offload

Accelerating a Biophysics Problem: 14 hours to 46 seconds

Accelerating Prediction of Chemical Shift of Protein Structures: Won 2019 one of the 6 ISC Best Poster Awards. This project uses state-of-the-art NVIDIA V100 GPUs and the acceleration brought down the time taken from 14 hours to 46 seconds. [For more check out our Biorxiv preprint]: (

Accelerating a Nuclear Physics problem on GPUs

Sunita Chandrasekaran and her doctoral student Robert Searles have accelerated a nuclear reactor-based miniapp, Minisweep using OpenACC on GPUs. The paper is accepted to be published in PASC 2018. For more see UDaily and OLCF news.

New Book Released: OpenACC for Programmers

Sunita Chandrasekaran and Guido Juckeland published an Edited book on OpenACC for Programmers: Concepts and Strategies, November 2017. The book provides a comprehensive and practical overview of OpenACC for massively parallel programming. Related articles: Eurekalert and insideHPC.

Video: OpenACC Eases GPU Programming for HPC at SC17

In this video from SC17, Sunita Chandrasekaran from and Stan Posey from NVIDIA describe how OpenACC eases GPU programming for HPC. More

Training: Programming Hackathons

In Summer 2016, scientists from NASA, NCI, BNL and 3 UDEL teams gathered at the University of Delaware for a GPU Programming Hackathon. Watch the recap video shared by NVIDIA news center and photos. Similarly in summer 2017, a Brookathon was held at Brookhaven National Lab in collaboration with Meifeng Lin, a CSI computational scientist, Fernanda Foertter, a HPC user support specialist and programmer and several others. The hackathon stories and training experiences were captured in this paper presented at the 2017 EduHPC workshop co-located with SC17.

Diversity in HPC

Article by the HPC Diversity project program at the University of Edinburgh highlighting Sunita as one of the ‘Faces of HPC’. More

OpenACC Brings Directives to Accelerated Computing at ISC 2017

In this video from ISC 2017, Sunita Chandrasekaran and Michael Wolfe describe how OpenACC makes GPU-accelerated computing more accessible to scientists and engineers. More

Other activites and Photo gallery

Photo gallery of on-going activities.