October tea-time: LAMMPS and SPARTA: Performance Portability of Particle Methods Through Kokkos
October 16th 2024: Kokkos tea-time
CExA organizes the 4th Kokkos tea-time on Wednesday, October the 16th, 2024 for 45min starting at 7AM Pacific, 10AM Eastern, 4PM Paris, 11PM Tokyo. It can be followed on Zoom, or by phone.
Stan Moore will give a talk on “LAMMPS and SPARTA: Performance Portability of Particle Methods Through Kokkos”
Stan Moore is a computational scientist at Sandia National Laboratories specializing in particle-based simulation methods such as molecular dynamics and direct simulation Monte-Carlo. He is a software developer of the LAMMPS and SPARTA codes, and his research currently focuses on extending particle-based codes to use Sandia’s Kokkos performance portability library to run efficiently on next-generation supercomputing platforms at extreme scale. He has been at Sandia for 12 years and is a Principal Member of Technical Staff. Stan earned a PhD in chemical engineering from Brigham Young University, where his research focused on developing a new method to predict chemical potential using molecular simulations.
LAMMPS and SPARTA: Performance Portability of Particle Methods Through Kokkos
The LAMMPS molecular dynamics code and the SPARTA direct simulation Monte Carlo code have been ported to use Kokkos performance portability abstractions. Both LAMMPS and SPARTA existed for several years before adding Kokkos, and the challenges and method of porting legacy codes will be discussed. During DOE’s Exascale Computing Project, Kokkos enabled several significant LAMMPS and SPARTA production simulations on some of the world’s largest supercomputers, including OLCF Summit and the first exascale machine: OLCF Frontier. LAMMPS and SPARTA are also being prepared and tuned to run on the ALCF Aurora and the upcoming NNSA ATS-4 El Capitan. Benchmarking data for several different GPU hardware highlights performance portability achieved through Kokkos. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA-0003525.
Additional info
Zoom link
In a web browser or from the application.
- Meeting ID: 923 971 90835
- Passcode: 218480
One tap mobile
- France: +33170950350,,92397190835#,,,,*218480#
- France: +33186995831,,92397190835#,,,,*218480#
- US: +12532158782,,92397190835#,,,,*218480#
- US: +13462487799,,92397190835#,,,,*218480#
By phone
- Meeting ID: 923 971 90835
- Meeting Passcode: 218480
Dial by your location
- +33 1 7095 0350 France
- +33 1 8699 5831 France
- +49 695 050 2596 Germany
- +49 69 7104 9922 Germany
- +1 564 217 2000 USA
- +1 646 931 3860 USA
- +81 3 4579 0545 Japan
- +81 3 4579 0432 Japan
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