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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: ** Harnessing the power of the world’s fastest computer** ** Tests defy forecasts, show new promise for Frontier speeds** ** Super computing**

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 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]: (https://www.biorxiv.org/content/10.1101/2020.01.12.903468v1)

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.

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.

Photo gallery of on-going activities.