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Hybrid parallel programming models combining distributed and shared memory paradigms are well established in high-performance computing. The classical prototype of hybrid programming in HPC is MPI/OpenMP, but many other combinations are…

MPI is the most widely used data transfer and communication model in High Performance Computing. The latest version of the standard, MPI-3, allows skilled programmers to exploit all hardware capabilities of the latest and future…

We describe the Stagger Code for simulations of magneto-hydrodynamic (MHD) systems. This is a modular code with a variety of physics modules that will let the user run simulations of deep stellar atmospheres, sunspot formation, stellar…

We present the AGATE simulation code, a Python-based framework developed primarily for solving the magnetohydrodynamics (MHD) equations while maintaining adaptability to other equation sets. The code employs a modular, object-oriented…

We present a new magnetohydrodynamic (MHD) simulation code with the aim of providing accurate numerical solutions to astrophysical phenomena where discontinuities, shock waves, and turbulence are inherently important. The code implements…

Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a…

Clusters of SMP nodes provide support for a wide diversity of parallel programming paradigms. Combining both shared memory and message passing parallelizations within the same application, the hybrid MPI-OpenMP paradigm is an emerging trend…

With recent developments in parallel supercomputing architecture, many core, multi-core, and GPU processors are now commonplace, resulting in more levels of parallelism, memory hierarchy, and programming complexity. It has been necessary to…

Numerical simulations of fluids in astrophysics and computational fluid dynamics (CFD) are among the most computationally-demanding calculations, in terms of sustained floating-point operations per second, or FLOP/s. It is expected that…

In ordinary turbulence research it has been a long standing tradition to solve the equations in spectral space giving the best possible accuracy. This is indeed a natural choice for incompressible problems with periodic boundaries, but it…

Heliospheric plasmas require multi-scale and multi-physics considerations. On one hand, MHD codes are widely used for global simulations of the solar-terrestrial environments, but do not provide the most elaborate physical description of…

We describe a newly developed hydrodynamic code for studying accretion disk processes. The numerical method uses a finite volume, nonlinear, Total Variation Diminishing (TVD) scheme to capture shocks and control spurious oscillations. It is…

We present a description of the adaptive mesh refinement (AMR) implementation of the PLUTO code for solving the equations of classical and special relativistic magnetohydrodynamics (MHD and RMHD). The current release exploits, in addition…

We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…

Many astrophysical and terrestrial scenarios involving magnetic fields can be approached in axial geometry. Although the smoothed particle hydrodynamics (SPH) technique has been successfully extended to magneto-hydrodynamics (MHD), a…

We present the publicly available moving-mesh hydrodynamics code Sprout. Sprout solves the equations of ideal hydrodynamics on an expanding Cartesian mesh. The expanding mesh can follow fluid outflows for several orders of magnitude with…

We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…

The advent of robust, reliable and accurate higher order Godunov schemes for many of the systems of equations of interest in computational astrophysics has made it important to understand how to solve them in multi-scale fashion. This is so…

The numerical study of relativistic magnetohydrodynamics (MHD) plays a crucial role in high-energy astrophysics, but unfortunately is computationally demanding, given the complex physics involved (high Lorentz factor flows, extreme…

Currently, the Weather Research and Forecasting model (WRF) utilizes shared memory (OpenMP) and distributed memory (MPI) parallelisms. To take advantage of GPU resources on the Perlmutter supercomputer at NERSC, we port parts of the…