Search Results for "mpi"
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Showing 40 open source projects for "mpi"
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DL_POLY
General purpose classical molecular dynamics (MD) simulation software
...It has evolved from older replicated-memory designs into a distributed-memory code suitable for modern parallel computing. The software can be built in serial form or with MPI for larger simulations. It is used for molecular modeling in chemistry, physics, materials science, and condensed-matter research. DL_POLY provides a mature simulation environment for studying atomic and molecular systems under classical force-field descriptions. Its main value is offering a long-running, research-grade MD package with a strong focus on parallel execution and general scientific use. -
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FFTW++ is a C++ header class for the FFTW Fast Fourier Transform library that automates memory allocation, alignment, planning, wisdom, and communication on both serial and parallel (OpenMP/MPI) architectures. In 2D and 3D, hybrid dealiasing of convolutions substantially reduces memory usage and computation time. Wrappers for C, Python, and Fortran are included.
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SWAN is a third-generation wave model, developed at Delft University of Technology, that computes random, short-crested wind-generated waves in coastal regions and inland waters.
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SUNTANS
Unstructured-grid, nonhydrostatic ocean model
The Stanford unstructured-grid, nonhydrostatic, parallel coastal ocean model. For simulation of nonhydrostatic flows at high resolution in estuaries and coastal seas. Requires a grid generator and ParMETIS (if run in parallel). -
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SWASH is a general-purpose numerical tool for simulating unsteady, non-hydrostatic, free-surface, rotational flow and transport phenomena in coastal waters as driven by waves, tides, buoyancy and wind forces. It provides a general basis for describing wave transformations from deep water to a beach, port or harbour, complex changes to rapidly varied flows, and density driven flows in coastal seas, estuaries, lakes and rivers.
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DAE Tools Project
Object-oriented equation-based modelling and optimisation software
DAE Tools is a cross-platform equation-based object-oriented modelling, simulation and optimisation software. It is not a modelling language nor a collection of numerical libraries but rather a higher level structure – an architectural design of interdependent software components providing an API for: - Model development/specification - Activities on developed models, such as simulation, optimisation, sensitivity analysis and parameter estimation - Processing of the results, such as... -
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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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JavaSeis.org: Java based software for processing and storing petroleum industry seismic data.
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CASUP
Cellular Automata library for SUPercomputers (CASUP)
...Margetts, Three-dimensional cellular automata modelling of cleavage propagation across crystal boundaries in polycrystalline microstructures, Proc. Roy. Soc. A 471:20150039, DOI: http://dx.doi.org/10.1098/rspa.2015.0039. CASUP can be linked with FE (e.g. MPI FE library ParaFEM, http://parafem.org.uk) for a multi-scale multi-physics CA-FE framework. CASUP extensively uses Fortran 2008 and 2018 coarrays, as well as MPI, OpenMP and do concurrent. CASUP can be used with Cray, Intel and GCC/OpenCoarrays compilers. Scaling beyond 100,000 cores on Cray XC30 was demonstrated. -
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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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NOMAD is a C++ code that implements the MADS algorithm (Mesh Adaptive Direct Search) for difficult blackbox optimization problems. Such problems occur when the functions to optimize are costly computer simulations with no derivatives.
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Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
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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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2d Heat advection Parallelized
MPI based Parallelized C Program code to solve for 2D heat advection.
Type - 2D Grid - Structured Cartesian Case - Heat advection Method - Finite Volume Method Approach - Flux based Accuracy - First order Scheme - Explicit, QUICK Temporal - Unsteady Parallelized - MPI (for cluster environment) Inputs: [ Length of domain (LX,LY) Time step - DT Material properties - Conductivity (k or kk) Density - (rho) Heat capacity - (cp) Boundary condition and Initial condition. ] Setup: The left and top edges are heated to 100 C and the right and bottom boundaries are heated to 0 C. The flow is along the main diagonal. -
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3d heat conduction parallelized
MPI based Parallelized C Program code to solve for 3D heat conduction.
Type - 3D Grid - Structured Cartesian Case - Heat conduction Method - Finite Volume Method Approach - Flux based Accuracy - First order Scheme - Explicit Temporal - Unsteady Parallelized - Yes Inputs: [ Length of domain (LX,LY,LZ) Time step - DT Material properties - Conductivity (k or kk) Density - (rho) Heat capacity - (cp) Boundary condition and Initial condition. ] Setup : The six boundaries are heated to 100 C, 200 C, 300 C, 400 C, 500 C, 600 C respectively. -
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Morpheus
MORPHEUS is a 3D MPI-OPENMP hydrodynamic simulation code
Manchester Omni-geometRical Program for Hydrodynamical EUlerian Simulations Copyright © N. Vaytet & T. O'Brien (2008-2014) The University of Manchester Current version 1.33 - 07/2014 MORPHEUS is a 3D MPI-OPENMP Eulerian second-order Godunov hydrodynamic simulation code in cartesian, spherical and cylindrical coordinates which includes radiative cooling and gravity. -
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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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Spherical Harmonics Manipulator
Software to make fast synthesis of spherical harmonics global models
This software computes synthesis of spherical harmonics models on sparse coordinates or grids (provided in a geodetic or geocentric reference system). It exploits basic parallelism using openmp directives. A solution with MPI has not be taken into account since it cannot be so easily manageble by final users. -
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Computational Fluid Dynamics (CFD) solver aimed to solve multi-physics problems on unstructured grids (inviscid Euler, Navier-Stokes flows, Heat transfer). F90 based. MPI, cgns, Metis libraries used.
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ViennaX
A flexible plugin execution framework for scientific computing in C++
...A plugin system allows to wrap already available functionality into reusable components, which can have data input and output dependencies via a socket system. Different scheduler kernels are available, supporting serial and MPI-based distributed executions, supporting task and data parallelism. -
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SPSens
Stochastic parameter sensitivity analysis for chemical networks
...Additionally the package includes basic stochastic simulation algorithms. The package includes several example networks which can be easily modified for other networks. Serial and parallel MPI implementations can be built and called from the command line. The serial implementation of the package can also be called from Matlab via the MEX interface with limited functionality. It supports many user specified options, including the use of antithetic sampling that can be used in some cases to increase efficiency. -
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OptLib
C nonlinear optimization library
[PROJECT MIGRATED TO GIT-HUB] OptLib is a library of nonlinear optimization routines focused on the use of stochastic methods, including Simulated Annealing, Genetic Algorithms, and Monte Carlo. Routines are parallelized using MPI. -
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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.
