Argonne Training Program on Extreme-Scale Computing

The HPC User Forum was established in 1999 to promote the health of the global HPC industry and address issues of common concern to users. In April 2019, the 72nd HPC User Forum took place in Santa Fe, New Mexico. This update summarizes a presentation from that meeting entitled, Safety, Reproducibility, Performance: Accelerating Cancer Drug Discovery with ML and HPCT technologies, given by Amanda J. Minnich, Staff Research Scientist, Lawrence Livermore National Laboratory.

The HPC User Forum was established in 1999 to promote the health of the global HPC industry and address issues of common concern to users. In May 2021, the 76th HPC User Forum took place virtually. This update summarizes a presentation from that virtual conference given by Michael Brown, Principal Engineer, Intel. Brown provided updates on Intel's progress on optimizing NAMD for Intel's new instruction set architecture, how it interacts with their most recent processor offerings, and how Intel is looking to the future of molecular dynamics.