Lessons Learned Developing Performance-Portable QMCPACK

Explore the redesign and reimplementation of QMCPACK, a code for predicting material properties, in this 58-minute webinar from the Exascale Computing Project. Learn about development practices, extensive testing strategies, and approaches for achieving portability and performance on GPUs and CPUs. Gain insights into algorithmic challenges, the ASLA approach, and real-world results that can benefit HPC application developers and facilities. Discover how QMCPACK tackles electron count, GPU parallelization, and scaling issues. Understand the main operations, Mini QMC implementation, and the delayed update technique. Examine version control practices, return on investment considerations, and performance challenges faced during the development process.