Accelerating prediction of Chemical Shift of protein structures

Vertically Integarted Project (VIP) undergraduate students won the Research Poster prize for accelerating the prediction of chemical shift of protein structures using state-of-the-art NVIDIA V100 GPUs at the annual VIP mid-atlantic poster competition held at UD. The acceleration brought down the time taken from 10+ hours to 2 minutes on a dataset of approximately 11K atoms. Stay tuned for more details.

Adapting apps for high-powered computing

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.