Projects

Open MPI

Open MPI is a project that originated as the merging of technologies and resources from several other projects (FT- MPI, LA-MPI, LAM/MPI, and PACX-MPI) in order to build the best MPI library available. A completely new MPI-2 compliant implementation, Open MPI offers advantages for system and ... [More] software vendors, application developers, and computer science researchers. It is easy to use, and runs natively on a wide variety of operating systems, network interconnects, and batch/scheduling systems. [Less]

pencil-code

The Pencil Code is primarily designed to deal with weakly compressible turbulent flows, which is why we use high-order first and second derivatives. To achieve good parallelization, we use explicit (as opposed to compact) finite differences. Typical scientific targets include driven MHD turbulence ... [More] in a periodic box, convection in a slab with non-periodic upper and lower boundaries, a convective star embedded in a fully nonperiodic box, accretion disc turbulence in the shearing sheet approximation, self-gravity, non-local radiation transfer, dust particle evolution with feedback on the gas, etc. A range of artificial viscosity and diffusion schemes can be invoked to deal with supersonic flows. For direct simulations regular viscosity and diffusion is being used. The code is written in well-commented Fortran90. For a more detailed description and a full introduction see the manual.pdf file (see under links on the right). Remember to sign up for the Pencil Code User Meeting (see link on the right)! [Less]

HDF5

The HDF5 technology suite is designed to organize, store, discover, access, analyze, share, and preserve diverse, complex data in continuously evolving heterogeneous computing and storage environments. HDF5 supports all types of data stored digitally, regardless of origin or size. Petabytes of ... [More] remote sensing data collected by satellites, terabytes of computational results from nuclear testing models, and megabytes of high-resolution MRI brain scans are stored in HDF5 files, together with metadata necessary for efficient data sharing, processing, visualization, and archiving. [Less]

GROMACS

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded ... [More] interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. [Less]

PM2

PM2 is a low level generic runtime system which integrates multithreading management (Marcel) and a high performance multi-cluster communication library (Madeleine).

The ns-3 network simulator

ns-3 is a discrete-event network simulator for Internet systems, targeted primarily for research and educational use. ns-3 is free software, licensed under the GNU GPLv2 license, and is publicly available for research, development, and use. ns-3 is intended as an eventual replacement for the ... [More] popular ns-2 simulator. The project acronym “nsnam” derives historically from the concatenation of ns (network simulator) and nam (network animator). [Less]

mpi4py

MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. This package is constructed on top of the MPI-1/MPI-2 specification and provides an object oriented interface ... [More] which closely follows MPI-2 C++ bindings. It supports point-to-point (sends, receives) and collective (broadcasts, scatters, gathers) communications of any picklable Python object as well as optimized communications of Python object exposing the single-segment buffer interface (NumPy arrays, builtin bytes/string/array objects). [Less]

TORQUE Resource Manager

TORQUE is an open source resource manager providing control over batch jobs and distributed compute nodes. It is a community effort based on the original *PBS project and, with more than 1,200 patches, has incorporated significant advances in the areas of scalability, fault tolerance, and feature ... [More] extensions contributed by NCSA, OSC, USC , the U.S. Dept of Energy, Sandia, PNNL, U of Buffalo, TeraGrid, and many other leading edge HPC organizations. [Less]

ESPResSo++

claimed by Max Planck Institute for Polymer Research

ESPResSo++ is a highy versatile, parallelized, scientific simulation software for coarse-grained simulations of atomic and molecular systems. ESPResSo++ is the descendant of the ESPResSo simulation software. It is implemented in C++ and controlled via Python.

ESPResSo Soft Matter Simulation Software

claimed by Max Planck Institute for Polymer Research

ESPResSo is a highly versatile software package for scientific simulations and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.