3D Magnetohydrodynamics
The equations of magnetohydrodynamics are solved on a 3 dimensional grid, using a 6th order finite difference method and a 3rd order time evolution. Applications include a variety of astrophysical problems where magnetic fields play an important role in the dynamics of the plasma.
ACRES (Adaptive Coordinate Real-space Electronic Structure)
Performs quantum mechanical calculations for atoms, molecules and solids based on the Density Functional Theory (DFT). These calculations are performed on a real space mesh which is adapted to suit spatially inhomogeneous requirements of resolution for an accurate description of a system. Results include electronic structure, total energy and Hellman-Feynman forces on atoms. Using the forces, the code also performs structural relaxation to minimum energy energy structure.
adaptive version of Chris Anderson's algorithm
We have implemented an algorithm in HPF for the rapid evaluation of the potential and force fields in systems involving large numbers of particles whose interaction are Coulombic or gravitational in nature. The code is based on Dr. Chris Anderson's hierarchical O(N) N-body algorithm derived from computational elements based on Poisson's formula. In a system of N particles, an amount of work of the order O(N^2) has been traditionally required to evaluate all pair-wise interactions unless some approximation or truncation method is used. Dr. Chris Anderson's algorithm requires an amount of work proportional to N to evaluate all interactions making it considerably more practical for large-scale problems encountered in plasma physics, fluid dynamics, molecular dynamics and celestial mechanics. Our code has been integrated in a molecular dynamics simulations package.
Computational Fluid Dynamics
ARC3D solves a Navier-Stokes equation by using Beam-Warming approximate factorization.
3D Steady state fluid flow and mass transfer and consumption in biofilms: Navier-Stokes solvers for highly irregular geometries (low Reynolds numbers): (+) Lattice Boltzmann Method (D3Q15) (+) Finite Differences (artificial compressibility, explicit scheme) semilinear convection-diffusion/diffusion-reaction equation for mass transfer and consumption (+) discretization: combined HOC/CDS finite difference solver: Newton method with BiCGTAB for linear (Jacobian) subsystem
A Post-stack 3D Seismic Depth Migration Code for imaging of inhomogeneous subsurface with a split convolutional approach. The depth extrapolation of the seismic stack is achieved by the convolution with a filter in the space-frequency domain. The filter is designed as an interpolation of 1D filters for a set of reference, constant velocities, choosen by an information-theoretical criterion.
computational accelerator physics
Simulate the beam physics using particle-in-cell model and direct spectral method solver of Boltzmann equation.
Computational Electromagnetics (CEM)
Computational electromagnetics (CEM) in the time domain is the most general numerical approach for describing dynamic or wide-band frequency electromagnetic phenomena. Computational simulations are derived from discretized approximations to the time-dependent Maxwell equations [1-10]. High numerical efficiency of CEM simulation procedures can be attained either by algorithmic improvements to solve the Maxwell equations or by using scalable parallel distributed memory computer systems. Since the massive volume of data processing are involved in solving the Maxwell equations, distributed memory computer systems are viable means to solve the memory shortage problem on workstations or vector computer systems. The other advantage is reduced time when parallel processing is employed to solve the Maxwell equations. Hence, parallelization of existing sequential Fortran code for solving Maxwell equations is an important effort towards developing efficient and accurate CEM code in analyzing refraction and diffraction phenomena for aircraft signature technology.
Computational Fluid Dynamics
Direct Numerical Simulation of jets in crossflow
Boundary Element Method for calculating linear stresses.
EllipSys 3D
3D CFD application using multigrid method. A case study of Linux PC?s.
Petroleum Reservoir Simulator. Models underground flow and thermodynamics of hydrocarbons
Generic Crash Kernels (from HPFt project)
Kernels which represent the important algorithms used in the PAM-CRASH crashworthiness simulation code. Two sets of kernels in MPF-1, MPFt, and MPI versions.
HERA : HEating by Resonant Absorption
3D magnetohydrodynamic simulations of plasma loops. We solve the 8 non-linear Partial Differential Equations describing magnetized fluid dynamics in a cylinder.
Henderson-Plischke Mixtures,Inhomegenous Fluid(Ornstein-Zernicker) Integral Equation.
Diphasic Compressible Fluid Mechanic Code: OpenMP, HPF, MPI versions available
A N-body+hydrodynamics code that includes many classic parallelisation problems. The long-range component of the gravitational force is solved using a 3-dimensional FFT and then the short range component and smoothed particle hydrodynamics gas forces are solved by a neighbour finding direct summation algorithm. Also included is a recursive, spatially adaptive grid refinement mechanism which solves the problems encountered in regions where the particles cluster heavily.
Markov Chain Monte Carlo (MCMC) for carcinogenesis models
Maximum likelihood calculations, Markov Chain Monte Carlo (MCMC)
A 3D Scalar Wave Propagation Modeler / Reverse Time Migration code. The code solves the scalar wave propagation in isotropic media by 4th order 5-step leap-frog scheme for tikme integration and by calculating the laplacian either by compact finite differences (implicit scheme) or by a spectral scheme in space. The same code running backward in time and feeded by the seismic stack as surface boundary condition acts as a full two-way migration and permits imaging of steep dip structures or even turning waves. The Hamiltonian scheme adopted gives control to the energy flow and therefore very effective absorbing boundary conditions have been implemented.
Neural Networks for Hydrocarbon Net Pay Prediction
Suite of HPF routines that correlates 3D attributes generated from depth seismic data with borehole rock and fluid properties via neural networks, which compete to generate the best predictor of hydrocarbon distribution for the reservoir after passing a bootstrap validation (or cross-validation) process. The predictions are used to select drilling targets, quantify oil reserves and provide detailed stratigraphic models for reservoir simulation.
CFD applications
Padd (Prolicleve/Adaptive Domain Decomposition )
Turbulence simulation with adaptive domain decomposition coupling with a remeshing program through Java.
Parallelization of the Conjugate Gradient Method using a Cray T3D
We used a Cray T3D computer to parallelize the Conjugate Gradient Method, the aim of this work was to use the advantages of the CRAFT model and the T3D architechture to get an efficient code when working with large amount of data.
Field --- Fluid dynamics : 2d turbulence simulation. The PPADD (Parallel Predictive-Adaptive Domain Decomposition) project is a large-scale application that naturally requires a distributed implementation on heterogeneous parallel machines. The general application field is solving PDEs through adaptive domain decomposition method. A Solver is coupled through Java with a domain decomposition tool and some utilities. The HPF code implements the solver.
PQE2000 Project
Build an HPF library to exploit the SIMD-part of a hybrid machine MIMD/SIMD from within an HPF program running on the mind nodes.
Princeton Ocean Model
Ocean modeling, 3D; hydrostatic and nonhydrostatic (3D Helmboltz solver required), Implicit time marching (2D Helmboltz solver), Explicit time marching (no solver needed)
PSPI3D (Phase Shift Plus Interpolation)
A Post-stack 3D Seismic Depth Migration Code for imaging of inhomogeneous subsurface with a spectral approach. The depth extrapolation of the seismic stack is achieved by a phase shift for a set of reference, constant velocities, choosen by an information-theoretical criterion, then an interpolation is performed. The availability of efficient, concurrent FFT library routines is critical.
Molecular Dynamics for simulating charged particles in fluid.
The application uses Smoothed Particle Hydrodynamics (SPH) to simulate compressible flows. SPH is a Lagrangian particle method that is widely used in astrophysics. It is algorithmically (but not physically!) very similar to Molecular Dynamics (aka MD).
wave propagation in materials with scatterers
Versatile Advection Code
Hydrodynamic and magnetohydrodynamic problems in astrophysics. The code can handle 1, 2 and 3D problems as well.
Wang Shiwen
numerical analysis, such as finite element analysis
Quantum chemistry, AB-initio package for computing properties of solids.
CFD code for modeling heath transfer processes (e.g. ovars)