Search Results for "mpi"
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Showing 22 open source projects for "mpi"
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Hex
Hydrogen-Electron Collisions
A computer code for simulation of electron-hydrogen scattering. Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract... -
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CPSeis is the open-source version of ConocoPhillips' former seismic processing system. Uses Fortran 90 and C/C++ layers for I/O. The new system was designed using an MPI-parallel model and works well on Linux clusters or on individual workstations.
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
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Rocstar Multiphysics Application
Parallel coupled multiphysics simulation application
...Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. Rocstar was originally developed at the University of Illinois Center for Simulation of Advanced Rockets (CSAR) under Department of Energy ASCI funding. Ongoing development of Rocstar is conducted by Illinois Rocstar LLC with company IR&D and continued DOE SBIR funding. -
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SoAx
Structure of Arrays of multiple types
Structures of arrays (SoA) are generally faster than arrays of structures (AoS) while AoS are more handy. This project (SoAx) combines the advantages of both. By means of C++(11) meta-template programming SoAx achieves maximal performance (efficient use of vector units and cache of modern CPUs) while providing a very convenient user interface (including object-oriented element handling) and flexibility. It has been designed to handle list-like sets of particles (similar to struct {int id;... -
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RSchr-5
Solves one-electron Schrödinger equation, with SLEPc and PETSc
...Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses Krylov-Schur algorithm from SLEPc library. The program is implemented in C++. The implementation is based on Message Passing Interface (MPI). -
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GMES
GMES is a free Python package for FDTD electromagnetic simulations.
GMES is a free finite-difference time-domain (FDTD) simulation Python package developed at GIST to model photonic devices. Its features include simulation in 1D, 2D, and 3D Cartesian coordinates, distributed memory parallelism on any system supporting the MPI standard, portable to any Unix-like system, variuos dispersive ε(ω) models, CPML absorbing boundaries and/or Bloch-periodic boundary conditions, and arbitrary material and source distributions. GMES officially stands for GIST Maxwell’s Equations Solver. -
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This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
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ViennaWD
Classical and quantum semiconductor device simulation
The ViennaWD package provides a selection of simulation tools supporting classical and quantum approaches for semiconductor device simulation. -
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NOTICE: The current version of Schnek is hosted on GitHub https://github.com/holgerschmitz/Schnek This repository on Sourceforge is no longer maintained! For examples of the use of Schnek, please look at the documentation of Schnek http://www.notjustphysics.com/schnek/schnek-documentation/
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MPI/C++ code to generate initial conditions for cosmological simulations using multiscale gaussian random fields, based on Edmund Bertschinger's GRAFIC-2 package. Provides a replacement for both grafic1 and grafic2.
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SIMBUCA (before called Simonion) is a simulation package that simulates the motion of charged particles under the influence of Electric and/or Magnetic fields. What makes Simbuca unique is that you can choose to calculate the Coulomb interaction between ions on a Graphics cards which is much faster than calculating this on the conventional CPU (reducing the simulation time from years to days). Therefore Simbuca has been applied in various projects which required to understand the...
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LIME
LIME is a software tool for creating multiphysics simulation codes.
The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve di fferent parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defi ned approach (with example templates), and interface requirements to enable the... -
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...Currently it enables you to get time solvetions for three-level systems. It's generates files with time solvetions for density matrix. In the future It will solve multilevel atomic system on MPI.
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...Provides simulation of 3D CFD problem based on Quasi-Gas Dynamics approach with radiation processes token into account. Lots of spectral intervals are considered. Parallel MPI/OpenMP-based implementation is provided.
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Finds the cosmological power spectrum from a N-body simulation using the MPI FFTW library. May be run as a parallel computation for increased resolution. Reads in binary Gadget2 files.
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For a given signal, pstool calculates a one-sided power spectrum, i.e. the portion of a signal's power falling within given frequency bins. This is done by employing a one-dimensional real-to-complex FFT routine on an MPI cluster.
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Framework for blockstructured adaptive finite volume methods. Provides MPI-parallelized variant of the Berger-Oliger AMR algorithm for Beowulf-clusters. Uses Clawpack. Visualization and conversion tools for HDF4 files included.
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GRAnular Media Simulation in C++ using Molecular Dynamics. To be used in PhD work. The code will support: collision, electric dipoles (long range forces), intergranular fluid, and possibly MPI for parallel computing.
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CPPScaLapack is a C++ class wrapper for PBLAS and ScaLAPACK with MPI. CPPScaLapack provides a user-friendly interface of high-speed parallel matrix calculation with BLAS and LAPACK techonologies for programers concerning with large-scale computing.
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In many parallel scientific applications the process of grid generation, decomposition, message passing, and performance measurements are of similar stucture. The projects intention is to develop a generic function library that will contain all these.
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