From the article:
Georgia Tech is conducting research that seeks to modernize quantum chemistry codes used in materials science. By designing a parallel code called GTFock, scientists can closely predict properties of materials using fundamental physical principles. This allows scalability to previously unattainable numbers of computing nodes. The team at Georgia Tech ran large batches of code on the Tianhe-2, one of the world’s most powerful computers, along with two Xeon Phi coprocessors. The experiment produced computations using more than 1.6 million cores, all working in parallel.
The code GTFock, is developed by Xing Liu, Aftab Patel, and Associate Professor Edmond Chow, of the School of Computational Science and Engineering , with assistance from Professor David Sherrill of the School of Chemistry and Biochemistry.
Original article found here:
http://www.hpcwire.com/off-the-wire/intel-piece-reveals-details-ipccs-penn-state-university-oregon-georgia-tech/?utm_source=rss&utm_medium=rss&utm_campaign=intel-piece-reveals-details-ipccs-penn-state-university-oregon-georgia-tech