PSC-led IT program receives $150,000 in enhancement funding

Further development of a computer program to improve predictions of the physical behavior of industrially important materials, designed with PSC leadership, received $150,000 through the National Science Foundation (NSF) funded Feature Science Applications (CSA) Program.

The 21 award-winning computing applications reflect the wide range of scientific fields and computing approaches – from language to method to workflow – that researchers will run on future supercomputers. They were selected by the large-scale high-performance computing (HPC) user community.

The MuST program, which received $150,000 in enhancement funding from the NSF, radically reduces the complexity of simulating complex materials.

The PSC-led program, called MuST, is a new open-source supercomputing code that radically reduces the complexity of simulating complex materials. A key advance of MuST over other comparable methods is that it promises predictions of the physical and electronic behavior of samples large enough to be relevant to the real world, and faster. The program was developed by a nationwide collaboration of scientists led by Yang Wang, senior computer scientist at PSC, with funding from the NSF.

“The CSA funding will help us allocate resources to improve the software engineering of the MuST code,” Wang said, with the ultimate goal of “taking code performance to the next level: a speedup of more than 10 The CSA funding will also help the MuST code meet the scientific community’s growing demands for high-performance, large-scale ab initio computation of disordered elements. [chemical] structures. »
The 21 teams selected as part of the CSA will each receive $150,000 for the first year of study and design. In total, the NSF awarded TACC $7 million over two years to support the CSA program. The CSA program received 140 submissions, spanning all scientific fields and involving 167 institutions in 38 states.

“Extensive engagement with the diverse research community is critical to the design of LCCF,” NSF’s future class-leading computing facility, said Manish Parashar, director of NSF’s Office of Advanced Cyberinfrastructure. “NSF appreciates the overwhelming community response to the CSA program. This will ensure that the future facility will have the widest impact and maintain our nation’s leadership in science and engineering.

About the PSC

The Pittsburgh Supercomputing Center (PSC) is a joint computing research center with Carnegie Mellon University and the University of Pittsburgh. PSC offers academic, government and industrial researchers access to many of the most powerful systems for high performance computing, communications and data storage available to scientists and engineers nationwide for unclassified research. PSC advances the state of the art in high-performance computing, communications, and data analytics and provides a flexible environment for solving research’s biggest and toughest problems. To see

Source: PSC

Gordon K. Morehouse