XSEDE ECSS 9/19 Seminar on Cosmic^2 Science Gateway and MPI Code for Simulating Black Holes
This month’s speakers for the XSEDE Extended Collaborative Support Services (ECSS) Seminar series are Mona Wong of SGCI and the San Diego Supercomputer Center and Damon Dougall of the Texas Advanced Computing Center (TACC).
Mona will be talking about her work on the Cosmic^2 Cryo-EM science gateway for PI Michael Cianfrocco from the University of Michigan. Structural biology is in the midst of a revolution. Instrumentation and software improvements have allowed for the full realization of cryo-electron microscopy (cryo-EM) as a tool capable of determining atomic structures of protein and macromolecular samples. These advances open the door to solving new structures that were previously unattainable, but handling large datasets (10+ terabytes) and access to supercomputers for analysis which are key to these advances, are not accessible by many. Specifically, they have adapted the successful and mature Cyberinfrastructure for Phylogenetic Research (CIPRES) Workbench and integrated Globus Auth and Globus Transfer to enable federated user identity management and large dataset transfers to XSEDE-allocated systems.
Damon Dougall will talk about his work with PI Patrick Fragile from the College of Charleston to have Cosmos++, an MPI code for simulating black holes, run on Stampede2. These are low clock-frequency but high core-count nodes, and there are some challenges associated with running on this hardware efficiently. This talk will focus on some of the initial steps they have taken to improve serial performance and how these steps relate to C++ software design.
Full abstracts and connection details are available at https://www.xsede.org/for-
The webinar will be on Tuesday, September 19 at 10 am Pacific/1 pm Eastern.
To join the webinar:
Launch Zoom webinar, https://zoom.us/j/350667546
Telephone (US Toll): Dial: +1 408 638 0968
(or) +1 646 558 8656
International numbers available: Zoom International Dial-in Numbers
Meeting ID: 350 667 546