Designing libraries and applications for petascale and beyond
Assistant Computational Scientist
Argonne Leadership Computing Facility
Argonne National Laboratory
Stuart Building 111
Monday, April 16th, 2012
Abstract: The road to petascale was relatively smooth - in many cases, only minor changes to terascale libraries and applications were required to meet scientific goals. However, the end of frequency scaling has caused a bifurcation in HPC architectures that requires substantial changes to legacy codes and probably completely new applications that address the requirements of accelerator-based and highly multithreaded architectures. I will describe our efforts towards new communication software and chemistry applications that target the architectural features of multi-petaflop architectures, especially Blue Gene/Q and Cray XK6. In many cases, it can be shown that architecture-specific optimizations can be generalized and made portable, but that complete rewrites are required to achieve these goals. This has profound implications on how to proceed to exascale with simulation software across a number of disciplines.
Bio: Jeff Hammond is currently an Assistant Computational Scientist at the Argonne Leadership Computing Facility, where works on communication libraries, programming models and quantum chemistry software for Blue Gene/Q. He was a Director's Postdoctoral Fellow at Argonne from 2009 to 2011. In 2009, Jeff received his PhD in chemistry from the University of Chicago as a DOE Computational Science Graduate Fellow. While in graduate school, Jeff made significant contributions to NWChem, the DOE flagship quantum chemistry package. He graduated from the University of Washington with degrees in chemistry and mathematics in 2003.