Search Results for "parallel"
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Showing 28 open source projects for "parallel"
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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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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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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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Mendel’s Accountant is a biologically realistic, forward-time, parallel, numerical simulation program which models genetic change within a population, as affected by mutation and selection.
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librsb
A shared memory parallel sparse matrix library including Sparse BLAS.
librsb is a library for sparse matrix computations featuring the Recursive Sparse Blocks (RSB) matrix format. This format allows cache efficient and multi-threaded (that is, shared memory parallel) operations on large sparse matrices. The most common operations necessary to iterative solvers are available, e.g.: matrix-vector multiplication, triangular solution, rows/columns scaling, diagonal extraction / setting, blocks extraction, norm computation, formats conversion. The RSB format is especially well suited for symmetric and transposed multiplication variants. ... -
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TPLS
High Resolution Direct Numerical Simulation (DNS) of Two-Phase Flows
TPLS is a powerful and efficient 3D Direct Numerical Simulation (DNS) flow solver to simulate multiphase flows at unprecedented detail, speed and accuracy. This flow solver has been developed by Lennon Ó Náraigh (Mathematical Sciences, University College Dublin), Prashant Valluri (Engineering, University of Edinburgh), David Scott, Toni Collis and Iain Bethune (EPCC at the University of Edinburgh) and Peter Spelt (Université de Lyon1, Claude Bernard) under the aegis of several HECToR /... -
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SMASH
Massively parallel software for quantum chemistry calculations
...DFT calculations can be performed on 100,000 CPU cores with high parallel efficiency. -
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time...
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FDMNES powered by sparse solvers
The sources and builds history of FDMNES project
The sources and builds history of FDMNES project (http://neel.cnrs.fr/spip.php?rubrique1007&lang=en ) with parallel sparse solvers moved to github: https://github.com/gudasergey/fdmnes -
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progrep
Utility to show live progress, status & stats for running simulations
...It shows % completed, time remaining, time elapsed, number of threads, MPI_Rank(if any), CPU usage & speed (FPS). The FPS measures may be used in benchmarking, e.g. while optimizing HPC algorithms for performance. progrep supports both single-threaded and parallel (multicore/multinode - e.g. OpenMP/MPI) jobs. progrep can also report for jobs running on remote hosts, e.g. jobs running on Linux Clusters. progrep works in client-server model. The server can be installed in your simulation source code with only 4 extra lines (API). When the progrep command is invoked, it queries this server as a client. progrep does not interfere with or slow down your simulation when not invoked. ... -
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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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The latest ESMF development is happening in GitHub: https://github.com/esmf-org/esmf https://earthsystemmodeling.org The Earth System Modeling Framework provides high-performance software infrastructure and superstructure for the construction and coupling of climate, weather, and data assimilation applications.
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coarrays
A free Fortran 2008, 2018 coarrays course with notes and exercises
Coarrays are native Fortran means for SPMD parallel programming. At runtime multiple copies of the executable (called images) are executing asynchronously. The F2008 standard provides coarray syntax, remote calls, coarray data objects, allocatable coarrays, syncronisation, atomics, etc. F2018 adds new functionality, e.g. collectives, teams, events, more atomics. Coarrays are used extensively in CASUP library for HPC (https://cgpack.sourceforge.io). -
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Xoptfoil
Airfoil optimization with Xfoil
Airfoil optimization using the highly-regarded Xfoil engine for aerodynamic calculations. Starting with a seed airfoil, Xoptfoil uses particle swarm, genetic algorithm and direct search methodologies to perturb the geometry and maximize performance. The user selects a number of operating points over which to optimize, desired constraints, and the optimizer does the rest. -
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ParaFEM
Parallel finite element analysis
ParaFEM is an open source platform for parallel finite element analysis. The source code and philosophy are documented in the text book Smith, Griffiths and Margetts, "Programming the Finite Element Method", 5th Edition, Wiley, 2014. The software is written in modern Fortran and uses MPI for message passing. -
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Freemat is an interpreted, matrix-oriented development environment for engineering and scientific applications, similar to the commercial package MATLAB. Freemat provides visualization, image manipulation, and plotting as well as parallel programming.
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optpack
FE simulation based automatic global optimisation in modern Fortran
...The initial application is for FE simulation of elasto-plastic buckling of steel rods aimed at tuning the hardening model. Unix shell scripts are used extensively. High concurrency is achieved with parallel multi-start global search and with parallel MPI FE. Powell's BOBYQA or LINCOA are used (not included in this package). Automatic mesh generation of 3D cylinders is provided + automatic boundary conditions, all via Fortran and shell scripting. -
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Ichnaea
Performance Timing Tools
Ichnaea is a set of tools that aid in collecting and tracking parameters and timings for parallel applications. The Performance Modelling Timing Module, PMTM, is a library that wraps system timing calls to abstract these from code developers and aid portability. It also has functionality to store parameters and print those, along with the timing information to a comma separated variable file. The Performance Modelling Analysis Tool, PMAT, is coming soon. -
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The... -
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Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
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PARAMESH is a package of Fortran 90 subroutines designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement(AMR).
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Pydusa is a package for parallel programming using Python. It contains a module for doing MPI programming in Python. We have added parallel solver packages such as Parallel SuperLU for solving sparse linear systems.
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Open FMM ( http://www.openfmm.net ) is and open source EM software project. It consist of a fast parallel two-dimensional TM/TE solver called Nero2d.
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Simple console program intended for factor or principal components analysis. It calculates the optimal number of factors using the Horn's parallel analysis, computes the Kaiser-Meyer-Olkin and a few other measures of sampling adequacy.
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SSynth is a package of scientific software consisting of shell scripts and fortran source code for efficiently calculating a model stellar spectrum using the standard LTE, homogenous, and plane parallel approximations.
