Join us on April 24, 2024 at 11:00 AM for a webinar that details the Journey to Exascale on Aurora.
As Exascale supercomputers are being deployed in U.S., QMCPACK (https://qmcpack.org) developers have migrated the code base to a performance portable implementation for maximal production. With a fresh design of code architecture, historically divergent code paths for CPUs and GPUs have been unified and a core set of features are available on all the computing platforms including CPUs and GPUs today. The new design was first implemented for NVIDIA GPUs and then extended to AMD GPUs the minimal change due to the HIP portable layer resemblance with CUDA. As Aurora offers SYCL programming model, we extended customized kernels to SYCL and integrated optimized linear algebra routines from MKL. OpenMP offload kernels worked out-of-the-box with Intel compilers. This talk will share our porting experience and show the impressive overall performance achieved on Intel Max GPUs.
Ye Luo Ph.D is a computational scientist specialized in condensed mater physics and high-performance computing. He focuses on developing novel methods and algorithms enabling challenging atomistic and quantum-mechanics based simulations of materials on supercomputers. He is all-time number one committer to QMCPACK, a highly optimized simulation package for Quantum Monte Carlo methods. He also works on the Quantum ESPRESSO density functional theory simulation package. Dr. Luo earned his Ph.D. degree in Theory and Numerical Simulation of Condensed Matter from Scuola Internazionale Superiore di Studi Avanzati, Italy.
