Search Results for "mpi" - Page 2
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Showing 186 open source projects for "mpi"
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RINGS "Rigorous Investigation of Networks Generated using Simulations" is a scientific code developed in Fortran90/MPI to analyze the results of molecular dynamics simulations. Its main feature is the analysis of the connectivity using ring statistics.
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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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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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Distributed MultiThreaded Checkpointing
Checkpoint/Restart functionality for Linux processes
...The OpenGL library for 3D-graphics is supported through a special plugin. It also has strong support for HPC (High Performance Computing) environments, including MPI and SLURM, through the github MANA project: https://github.com/mpickpt/mana -
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MPI-dot2dot
A Parallel Tool to Find DNA Tandem Repeats on Multicore Clusters
MPI-dot2dot is a parallel tool to accelerate the identification of Tandem Repeats on multisequence datasetes. This tool receives as input a multisequence file with FASTQ or FASTA formats. It uses MPI processes and OpenMP threads to exploit the compute capabilities of multicore clusters. -
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progrep
Utility to show live progress, status & stats for running simulations
...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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JavaSeis.org: Java based software for processing and storing petroleum industry seismic data.
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RM3 Engine Multi Platform Interface is an open source interface in development for easy integration of the RM3 Engine product by Capgemini. The RM3 Engine is a piece of software written in Java, which calculates promotions for POS applications. More info can be found at https://www.capgemini.com/consumer-products-retail/retail-mix-match
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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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MarDRe
MapReduce-based tool to remove duplicate DNA reads
...This tool allows bioinformatics to avoid the analysis of not necessary reads, reducing the time of subsequent procedures with the dataset. MarDRe is the Big Data counterpart of ParDRe (link above), which employs HPC technologies (i.e., hybrid MPI/multithreading) to reduce runtime on multicore systems. Instead, MarDRe takes advantage of the MapReduce programming model to significantly improve ParDRe performance on distributed systems, especially on cloud-based infrastructures. Written in pure Java to maximize cross-platform compatibility, MarDRe is built upon the open-source Apache Hadoop project, the most popular distributed computing framework for Big Data processing. -
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pFUnit
Unit testing framework for Fortran with MPI extensions
pFUnit is now hosted and developed on GitHub. And will be completely removed from sourceforge on January 01, 2020 Please use: https://github.com/Goddard-Fortran-Ecosystem/pFUnit GitHub has been the primary host for some time now, but with the release of pFUnit 4.0 earlier in 2019, the sourceforge site is very out of date. -
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Tiramisu
Polyhedral compiler for expressing fast and portable data algorithms
...The Tiramisu compiler is based on the polyhedral model thus it can express a large set of loop optimizations and data layout transformations. Currently, it targets (1) multicore X86 CPUs, (2) Nvidia GPUs, (3) Xilinx FPGAs (Vivado HLS) and (4) distributed machines (using MPI). It is designed to enable easy integration of code generators for new architectures. -
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MPI 3D Heat equation
MPI Numerical Solving of the 3D Heat equation
This scientific code solves the 3D Heat equation with MPI (Message Passing Interface) implementation. There are Fortran 90 and C versions. A benchmark analysis is also preformed with the relation between speedup and number of processes. -
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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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ParaFEM
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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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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CUDA-MEME
Ultrafast scalable motif discovery algorithm using GPU computing
mCUDA-MEME is a well-established ultrafast scalable motif discovery algorithm based on MEME (version 4.4.0) algorithm for multiple GPUs using a hybrid combination of CUDA, MPI and OpenMP parallel programming models. This algorithm is a further extension of CUDA-MEME (based on MEME version 3.5.4) with respect to accuracy and speed and has been tested on a GPU cluster with eight compute nodes and two Fermi-based Tesla S2050 (and Tesla-based Tesla S1070) quad-GPU computing systems, running the Linux OS with the MPICH2 library. ... -
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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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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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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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SW#
smith waterman, gpu, cuda, alignment
...It utilizes Hirschbergs and Ukkonens algorithm for memory efficiency and additional speed up. The library is scalable for use with multiple GPUs. Some parts of the library utilize MPI for CUDA enabled clusters. This work has been supported in part by Croatian Science Foundation under the project UIP-11-2013-7353. Database search now available! Publications: http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0145857 http://bioinformatics.oxfordjournals.org/content/29/19/2494 http://nar.oxfordjournals.org/content/early/2013/11/23/nar.gkt1164.abstract#! ... -
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Schnek
A C++ library for developing parallel simulations on Cartesian grids
...Features include - setup file reader with C style syntax - extendable for formulas in setup files - hierarchical structure of simulation components - mutli-dimensional grids - initialisation of grid from formulas in setup file - boundary cells and ghost cells - MPI support for parallelisation - MPI update of ghost cells to neighbouring processes - easy to use parallel and serial HDF5 output of grids
