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Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures…
Current AMR simulations require algorithms that are highly parallelized and manage memory efficiently. As compute engines grow larger, AMR simulations will require algorithms that achieve new levels of efficient parallelization and memory…
The numerical simulation of turbulence and flows in almost ideal, large-Reynolds-number astrophysical plasmas motivates the implementation of almost conservative MHD computer codes. They should efficiently calculate, use highly parallelized…
The advent of experimental science facilities-instruments and observatories, such as the Large Hadron Collider, the Laser Interferometer Gravitational Wave Observatory, and the upcoming Large Synoptic Survey Telescope-has brought about…
Molecular Dynamics (MD) codes predict the fundamental properties of matter by following the trajectories of a collection of interacting model particles. To exploit diverse modern manycore hardware, efficient codes must use all available…
Numerical methods to improve the treatment of magnetic fields in smoothed field magnetohydrodynamics (SPMHD) are developed and tested. Chapter 2 is a review of SPMHD. In Chapter 3, a mixed hyperbolic/parabolic scheme is developed which…
The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…
Parallel code design is a challenging task especially when addressing petascale systems for massive parallel processing (MPP), i.e. parallel computations on several hundreds of thousands of cores. An in-house computational fluid dynamics…
The design and implementation of a new framework for adaptive mesh refinement (AMR) calculations is described. It is intended primarily for applications in astrophysical fluid dynamics, but its flexible and modular design enables its use…
We present a novel approach to accelerate astrophysical hydrodynamical simulations. In astrophysical many-body simulations, GRAPE (GRAvity piPE) system has been widely used by many researchers. However, in the GRAPE systems, its function is…
We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…
This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The project develops world-class, extreme-scale computing…
A trend in high performance computers that is becoming increasingly popular is the use of symmetric multiprocessing (SMP) rather than the older paradigm of MPP. MPI codes that ran and scaled well on MPP machines can often be run on an SMP…
We report a current status of our radiation-magnetohydrodynamic code for the study of core-collapse supernovae. In this contribution, we discuss the accuracy of our newly developed numerical code by presenting the test problem in a static…
We introduce a high-performance simulation framework that permits the semi-independent, task-based solution of sets of partial differential equations, typically manifesting as updates to a collection of `patches' in space-time. A hybrid…
Gyrokinetic codes in plasma physics need outstanding computational resources to solve increasingly complex problems, requiring the effective exploitation of cutting-edge HPC architectures. This paper focuses on the enabling of ORB5, a…
HII regions powered by ionizing radiation from massive stars drive the dynamical evolution of the interstellar medium. Fast radiative transfer methods for incorporating photoionization effects are thus essential in astrophysical…
We present the implementation and performance of a class of directionally unsplit Riemann-solver-based hydrodynamic schemes on Graphic Processing Units (GPU). These schemes, including the MUSCL-Hancock method, a variant of the MUSCL-Hancock…
We present a new numerical code which solves the general relativistic magneto-hydrodynamics (GRMHD) equations coupled to the Einstein equations for the evolution of a dynamical spacetime within the conformally-flat approximation. This code…
PPMLR-MHD is a new magnetohydrodynamics (MHD) model used to simulate the interactions of the solar wind with the magnetosphere, which has been proved to be the key element of the space weather cause-and-effect chain process from the Sun to…