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April 2022 | Science Highlights, Announcements & Upcoming Events
XSEDE helps the nation's most creative minds discover breakthroughs and solutions for some of the world's greatest scientific challenges. Through free, customized access to the National Science Foundation's advanced digital resources, consulting, training, and mentorship opportunities, XSEDE enables you to Discover More. Get started here.
Science Highlights
Hawaiian-Emperor Undersea Mystery Revealed with Supercomputers
XSEDE-allocated Stampede2, Frontera simulations model plate tectonics of bend in seamount chain
The Hawaiian-Emperor seamount chain spans almost four thousand miles from the Hawaiian Islands to the Detroit Seamount in the North Pacific, an L-shaped chain that goes west then abruptly north. The 60-degree bend in the line of mostly undersea mountains and volcanic islands has puzzled scientists since it was first identified in the 1940s from the data of numerous echo-sounding ships.
A team of scientists has now used supercomputers allocated by XSEDE to model and reconstruct the dynamics of Pacific tectonic plate motion, dynamics that might explain the mysterious mountain chain bend.
Three-dimensional view of the geodynamic model at 50 million years ago, when the Pacific Plate motion changed, which accounts for the 60-degree bend in the Hawaiian-Emperor seamount chain. KRO - Kronotsky subduction zone; PAC – Pacific; PHI - Philippine Sea Plate; CMB - core-mantle boundary. Credit: Michael Gurnis, Caltech. 
Dynamic Domains in the Spike Protein of SARS-CoV2
Using XSEDE supercomputing resources, researchers identify unique regions of the spike protein key to understanding variants
For many people, COVID-19 has highlighted the role of science in fighting disease around the world. Using XSEDE supercomputing resources, researchers from the University of Connecticut have identified unique regions of the spike protein key to understanding variants. The findings will allow researchers to make recommendations about the design of future SARS-CoV-2 spike protein variants for effective immunogens that trigger neutralizing antibodies to hinder virus activity.
(A) Spike protein structure with generated movements highlighted by gray arrows. The spike protein is colored according to different functional units (B). Credit: Tarakanova Lab/UConn
XSEDE-Allocated Models Assist with Better Understanding of Tuberculosis
Expanse supercomputer spotlights role of unstable cells in response to infection
For centuries, tuberculosis (TB) has been the number one cause of death from infectious diseases in the world. With help from XSEDE, researchers are working to better understand the disease. One recent study which relied on access to XSEDE-allocated supercomputers explains the potential role of neutrophils (a mysterious cell) in the immune response to TB. The study, which could help lead researchers to a TB vaccine, was recently published in the Frontiers in Immunology journal.
The hallmark of TB infection is the formation of spherical structures in the lungs. These masses of infected tissue, called granulomas, start to form within the first two to four weeks after infection. The yellow portions of these illustrations show the role of neutrophils (unstable cells) at various stages of TB infection. Credit: Kirschner et al.
Program Announcements
Advance to Access: Making a Successful Transition from XSEDE
XSEDE operations are ending in August
The XSEDE project is scheduled to end operations on August 31, 2022, giving way to a new National Science Foundation program, Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS), set to launch September 1, 2022.
While access to XSEDE-allocated resources will continue under the ACCESS program, there will be changes in how the new program is managed.
XSEDE leadership has created a website to provide information about this transition as it becomes available. Please visit it at the link below.
Purdue's Anvil in Production and Available for Use
Purdue University's powerful new Anvil supercomputer, funded by the National Science Foundation and built in partnership with Dell and AMD, is now operating in production and available for use. Anvil makes 1 billion CPU core-hours available to XSEDE users. Researchers may request access to Anvil via the XSEDE allocation process.
Community Announcements
Take Your Students to the Next Level
Whether you're working with undergraduate or graduate students with an interest in high-performance computing, or Ph.D. students about to enter the job market, getting involved in the Students@SC program at SC22, Nov. 14-18, can help them identify possibilities within the field of HPC. With opportunities for professional development and guidance from mentors, the Students@SC program helps facilitate students' transition into the professional HPC community. Application deadlines are coming soon for the Student Cluster Competition and the Student Volunteers Program.
Join TACC for Containers @ TACC webinar
Software containers are an important common currency for portable and reproducible computing. Learn best practices on building, using, and sharing Docker and Singularity containers in this hands-on workshop. Attendees will also learn how to run those containers on TACC HPC systems, including MPI and GPU-aware containers. This tutorial will be offered both virtually via webinar and in-person at TACC on May 4 from 9:00 a.m. – 4:00 p.m. CT.
Globus Guest Connections Allow XSEDE Researchers to Share Work on XSEDE with Colleagues
As Globus Connect Server 5.4 is deployed on XSEDE systems, researchers using XSEDE resources can now permit research partners to access their data on XSEDE systems, speeding collaborative research and facilitating review and inspection of research results. This is file sharing (similar to Box, Dropbox, or Google Drive) that works with the data storage on XSEDE resources at very large scales. The sharing feature is currently available on Purdue's Anvil and SDSC's Expanse systems and will be available on other systems as XSEDE's Globus Connect Server 5.4 rollout continues.
Upcoming Dates and Deadlines