Name: Sam Reeve
Pronouns: he/him
Biography:
Sam Reeve is staff scientist at Oak Ridge National Lab, working at the intersection of materials and computational science. His current focus is software development for performance portability and scalability in materials applications. Present work includes molecular dynamics, peridynamics, material point method, and cellular automata for understanding solidification, material failure, and metal additive manufacturing. He obtained his BS from Iowa State University and his PhD from Purdue University, both in Materials Engineering.
Institution/Lab: Oak Ridge National Laboratory
Website:
SRP Collaboration Topic/Title: Particle-based performance comparisons with Cabana
Field or research area: Materials science
Please select all the topical areas that apply to your project:
Computational Science Applications (i.e., bioscience, cosmology, chemistry, environmental science, nanotechnology, climate, etc.); High-Performance Computing
Brief Abstract:
Particles (just points in a box) can be used to simulate a huge range of different processes and phenomena, from atoms to galaxies. Because there are so many similarities in writing simulation codes, improving the computational performance of those codes, and making sure the physics is correct (even with very different physics), we created a library to manage particles called Cabana. Cabana is made for high-performance computing (HPC) particle codes on all the hardware architectures (GPUs, etc.) across Department of Energy (using the Kokkos and MPI libraries). This project would focus on comparing the performance of recent Cabana applications on HPC platforms (or even potentially building a new Cabana-based code for a method of interest). Recent codes have focused heat transport, fracture and failure in materials, plasma physics, cosmology, and atomic behavior.
Desired relevant skills, background, or interests:
Any programming (especially C++) experience would be highly useful; interest in GPU computing (especially Kokkos); experience or interest in materials (from any background or domain science)
Other comments:
I started at a national lab as a summer undergraduate student and I love continuing to work with students as a staff member!
Do any special requirements apply? Permanent Resident OK; International OK
Other, specify:
Keywords:
materials science; computational science; high performance computing; software; Kokkos; performance portability; GPU; molecular dynamics; peridynamics; phase field; heat transfer; cellular automata; material point method; N-body; additive manufacturing; fracture mechanics; microstructure
Lightning Talk Title: Cabana: simulations from atoms to galaxies