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Writing efficient distributed code remains a labor-intensive and complex endeavor. To simplify application development, the Flexible Computational Science Infrastructure (FleCSI) framework offers a user-oriented, high-level programming…
To optimize the geometry of airfoils for a specific application is an important engineering problem. In this context genetic algorithms have enjoyed some success as they are able to explore the search space without getting stuck in local…
In this paper we propose an accurate, and computationally efficient method for incorporating adaptive spatial resolution into weakly-compressible Smoothed Particle Hydrodynamics (SPH) schemes. Particles are adaptively split and merged in an…
We present an algorithm for solving the radiative transfer problem on massively parallel computers using adaptive mesh refinement and domain decomposition. The solver is based on the method of characteristics which requires an adaptive…
We have developed a new computer code, RELDAFNA, to solve the conservative equations of special relativistic hydrodynamics (SRHD) using adaptive mesh refinement (AMR) on parallel computers. We have implemented a characteristic-wise, finite…
We present a new radiative transfer code for axi-symmetric stellar atmospheres and compare test results against 1D and 2D models with and without velocity fields. The code uses the short characteristic method with modifications to handle…
The ever-growing scale of data parallelism in today's HPC and ML applications presents a big challenge for computing architectures' energy efficiency and performance. Vector processors address the scale-up challenge by decoupling Vector…
Many interesting terrestrial and astrophysical scenarios involving magnetic fields can be approached in axial geometry. Even though the Lagrangian smoothed particle hydrodynamics (SPH) technique has been successfully extended to handle…
Modern scientific applications are getting more diverse, and the vector lengths in those applications vary widely. Contemporary Vector Processors (VPs) are designed either for short vector lengths, e.g., Fujitsu A64FX with 512-bit ARM SVE…
Analytic energy gradients are presented for a variational two-electron reduced-density-matrix-driven complete active space self-consistent field (v2RDM-CASSCF) procedure that employs the density-fitting (DF) approximation to the…
An algorithm for simulating self-gravitating cosmological astrophysical fluids is presented. The advantages include a large dynamic range, parallelizability, high resolution per grid element and fast execution speed. The code is based on a…
As heterogeneous supercomputing architectures leveraging GPUs become increasingly central to high-performance computing (HPC), it is crucial for computational fluid dynamics (CFD) simulations, a de-facto HPC workload, to efficiently utilize…
AMD Xilinx's new Versal Adaptive Compute Acceleration Platform (ACAP) is an FPGA architecture combining reconfigurable fabric with other on-chip hardened compute resources. AI engines are one of these and, by operating in a highly…
Porous flow-through electrodes are used as the core reactive component across electrochemical technologies. Controlling the fluid flow, species transport, and reactive environment is critical to attaining high performance. However,…
We derive and analyze a simplified formulation of the numerical viscosity terms appearing in the expression of the numerical fluxes associated to several High-Resolution Shock-Capturing schemes. After some algebraic pre-processing, we give…
Modern microprocessors extend their instruction set architecture (ISA) with Single Instruction, Multiple Data (SIMD) operations to improve performance. The Intel Advanced Vector Extensions (AVX) enhance the x86 ISA and are widely supported…
In this paper, I discuss the challenges in porting hydrodynamic codes to futuristic exascale HPC systems. In particular, we describe the computational complexities of finite difference method, pseudo-spectral method, and Fast Fourier…
We present an implementation of smoothed particle hydrodynamics (SPH) with improved accuracy for simulations of galaxies and the large-scale structure. In particular, we combine, implement, modify and test a vast majority of SPH improvement…
Ookami is a computer technology testbed supported by the United States National Science Foundation. It provides researchers with access to the A64FX processor developed by Fujitsu in collaboration with RIK{\Xi}N for the Japanese path to…
Radiative transfer has a strong impact on the collapse and the fragmentation of prestellar dense cores. We present the radiation-hydrodynamics solver we designed for the RAMSES code. The method is designed for astrophysical purposes, and in…