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IBM & DOE Launch COVID-19 High Performance Computing Consortium

Today, IBM, in collaboration with the DOE, launched the COVID-19 High Performance Computing Consortium. “The consortium bring together an unprecedented amount of supercomputing power—16 systems with more than 330 petaflops, 775,000 CPU cores, 34,000 GPUs, and counting—to help researchers everywhere tackle this global challenge. These high-performance computing systems allow researchers to run very large numbers of calculations in epidemiology, bioinformatics, and molecular modeling in hours or days, not weeks, months or years.”

XSEDE Supercomputers Complete Simulations Pertinent to coronavirus, DNA Replication

Fundamental research supported by XSEDE supercomputers could help lead to new strategies and better technology that combats infectious and genetic diseases. “Chemical reactions, life, doesn’t happen that quickly,” Roston said. “It happens on a timescale of people talking to each other. Bridging this gap in timescale of many, many orders of magnitude requires many steps in your simulations. It very quickly becomes computationally intractable.”

CUDA-Python and RAPIDS for blazing fast scientific computing

Abe Stern from NVIDIA gave this talk at the ECSS Symposium. “We will introduce Numba and RAPIDS for GPU programming in Python. Numba allows us to write just-in-time compiled CUDA code in Python, giving us easy access to the power of GPUs from a powerful high-level language. RAPIDS is a suite of tools with a Python interface for machine learning and dataframe operations. Together, Numba and RAPIDS represent a potent set of tools for rapid prototyping, development, and analysis for scientific computing. We will cover the basics of each library and go over simple examples to get users started.”

IRIS and XSEDE to investigate the impact of research supercomputing

A partnership XSEDE and the Institute for Research on Innovation and Science (IRIS) will examine how access to advanced research computing resources and services available via XSEDE affect the collaboration networks and scientific productivity of participating researchers. “IRIS will link the IRIS UMETRICS dataset containing transaction-level administrative data on sponsored research projects from dozens of the nation’s leading higher educational institutions to data from XSEDE allocations. This will result in a new way to examine how access to supercomputers influences the way researchers collaborate with colleagues and the productivity of individuals and research teams.”

Podcast: Simulating Galaxy Clusters with XSEDE Supercomputers

In this TACC podcast, researchers describe how they are using XSEDE supercomputers to run some of the highest resolution simulations ever of galaxy clusters. One really cool thing about simulations is that we know what’s going on everywhere inside the simulated box,” Butsky said. “We can make some synthetic observations and compare them to what we actually see in absorption spectra and then connect the dots and match the spectra that’s observed and try to understand what’s really going on in this simulated box.”

Supercomputing the Mysteries of Boron Carbide

Researchers at the University of Florida are using XSEDE supercomputers to unlock the mysteries of boron carbide, one of the hardest materials on earth. The material is also very lightweight, which explains why it has been used in making vehicle armor and body protection for soldiers. The research, which primarily used the Comet supercomputer at the San Diego Supercomputer Center along with the Stampede and Stampede2 systems at the Texas Advanced Computing Center, may provide insight into better protective mechanisms for vehicle and soldier armor after further testing and development.

XSEDE Supercomputers Advance Skin Cancer Research

In this TACC podcast, UC Berkeley scientists describe how they are using powerful supercomputers to uncover the mechanism that activates cell mutations found in about 50 percent of melanomas. “The study’s computational challenges involved molecular dynamics simulations that modeled the protein at the atomic level, determining the forces of every atom on every other atom for a system of about 200,000 atoms at time steps of two femtoseconds.”

AI on XSEDE Systems Promises Early Prediction of Breast Cancer

Researchers are using XSEDE supercomputers and artificial intelligence to predict breast cancer. “Our local GPUs did not have enough memory to accommodate such a scale of data for AI modeling. It could take weeks to run one experiment without the support of powerful GPUs. Using the GPUs from XSEDE, with larger memory, reduced that to a couple of hours.”

Simulating Shock Turbulence Interactions on Stampede II

In this special guest feature, Jorge Salazar from TACC writes that Researchers are using XSEDE supercomputers to better understand shock turbulence interactions. “We proposed that, instead of treating the shock as a discontinuity, one needs to account for its finite thickness as in real life which may be involved as a governing parameter in, for example, amplification factors,” Donzis said.

XSEDE Campus Champions to Focus on Research Collaboration

XSEDE has selected five Campus Champions Fellows for the 2019-2020 academic year. These exceptional researchers will have the opportunity to work side-by-side with staff of the XSEDE project to solve real-world science and engineering projects. “The five Fellows selected for this year will work on projects spanning from hydrology gateways to undergraduate data science curriculum development under the overarching goal of increasing cyberinfrastructure expertise on campuses by including Campus Champions as partners in XSEDE’s projects.”