arXiv subjects

Mauro Rodriguez Jr.

Publications and source records attributed to Mauro Rodriguez Jr..

3 recordsLinked to original sources

arXiv2025

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work, MFC 3.0, was published, documented, and made open-source by Bryngelson et al. CPC (2021) features numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. We exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF's Frontier and LLNL's El Capitan. Combined with MFC's single-accelerator performance, MFC achieves exascale computation in practice and has achieved the largest-to-date public CFD simulation at 200 trillion grid points, earning it a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, $N$-fluid phase change, Euler-Euler and Euler-Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF's Summit and Frontier, and LLNL's El Capitan, achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-fold increase in device count show parallel efficiencies exceeding 90% on OLCF Frontier.

physics.flu-dyn↗

arXiv2024

Method for portable, scalable, and performant GPU-accelerated simulation of multiphase compressible flow

Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days. Offloading the compute kernels to GPUs appears attractive but is memory-bound for standard finite-volume and -difference methods, damping speed-ups. Even when realized, faster GPU-based kernels lead to more intrusive communication and I/O times. We present a portable strategy for GPU acceleration of multiphase compressible flow solvers that addresses these challenges and obtains large speedups at scale. We use OpenACC for portable offloading of all compute kernels while maintaining low-level control when needed. An established Fortran preprocessor and metaprogramming tool, Fypp, enables otherwise hidden compile-time optimizations. This strategy exposes compile-time optimizations and high memory reuse while retaining readable, maintainable, and compact code. Remote direct memory access, realized via CUDA-aware MPI, reduces communication times. We implement this approach in the open-source solver MFC. Metaprogramming-based preprocessing results in an 8-times speedup of the most expensive kernels, 46% of peak FLOPs on NVIDIA GPUs, and high arithmetic intensity (about 10 FLOPs/byte). In representative simulations, a single A100 GPU is 300-times faster than an Intel Xeon CPU core, corresponding to a 9-times speedup for a single A100 compared to the entire CPU die. At the same time, near-ideal (97%) weak scaling is observed for at least 13824 GPUs on Summit. A strong scaling efficiency of 84% is retained for an 8-times increase in GPU count. Collective I/O, implemented via MPI3, helps ensure negligible contribution of data transfers. Large many-GPU simulations of compressible (solid-)liquid-gas flows demonstrate the practical utility of this strategy.

physics.flu-dyn↗

arXiv2023

Estimating viscoelastic, soft material properties using a modified Rayleigh cavitation bubble collapse time

Accurate determination of high strain rate (> 10^3 1/s) constitutive properties of soft materials remains a formidable challenge. Albeit recent advancements among experimental techniques, in particular inertial microcavitation rheometry (IMR), the intrinsic requirement to visualize the bubble cavitation dynamics has limited its application to nominally transparent materials. Here, in an effort to address this challenge and to expand the experimental capability of IMR to optically opaque materials, we investigated whether one could use the acoustic signature of the time interval between bubble nucleation and collapse, characterized as the bubble collapse time, to infer the viscoelastic material properties without being able to image the bubble directly in the tissue. By introducing a modified Rayleigh collapse time for soft materials, which is strongly dependent on the stiffness of the material at hand, we show that, in principle, one can obtain an order of magnitude or better estimate of the viscoelastic material properties of the soft material under investigation. Using a newly developed energy-based theoretical framework, we show that for materials stiffer than 10 kPa the bubble collapse time during a single bubble cavitation event can provide quantitative and meaningful information about the constitutive properties of the material at hand. For very soft materials (i.e., shear modulus less than 10 kPa) our theory shows that unless the collapse time measurement has very high precision and low uncertainties, the material property estimates based on the bubble collapse time only will not be accurate and require visual resolution of the full cavitation kinematics.

cond-mat.soft↗