Search Results for "hpc"
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Showing 35 open source projects for "hpc"
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LAMMPS
Public development project of the LAMMPS MD software package
LAMMPS is a large-scale classical molecular dynamics simulator for modeling atoms, molecules, coarse-grained particles, and other particle-based systems. It is designed for high-performance computing and can run efficiently on desktops, clusters, and supercomputers. The software is widely used in materials science, chemistry, physics, nanotechnology, soft matter, and computational engineering. It supports many interaction models, including pair potentials, many-body potentials, reactive... -
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DifferentialEquations.jl
Multi-language suite for high-performance solvers of equations
...The well-optimized DifferentialEquations solvers benchmark as some of the fastest implementations, using classic algorithms and ones from recent research which routinely outperform the “standard” C/Fortran methods, and include algorithms optimized for high-precision and HPC applications. At the same time, it wraps the classic C/Fortran methods, making it easy to switch over to them whenever necessary. Solving differential equations with different methods from different languages and packages can be done by changing one line of code, allowing for easy benchmarking to ensure you are using the fastest method possible. -
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Perceval
An open source framework for programming photonic quantum computers
An open-source framework for programming photonic quantum computers. Through a simple object-oriented Python API, Perceval provides tools for composing circuits from linear optical components, defining single-photon sources, manipulating Fock states, running simulations, reproducing published experimental papers and experimenting with a new generation of quantum algorithms. It aims to be a companion tool for developing photonic circuits – for simulating and optimizing their design, modeling... -
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OrdinaryDiffEq.jl
High performance ordinary differential equation (ODE)
...The well-optimized DifferentialEquations solvers benchmark as some of the fastest implementations, using classic algorithms and ones from recent research that routinely outperform the “standard” C/Fortran methods, and include algorithms optimized for high-precision and HPC applications. At the same time, it wraps the classic C/Fortran methods, making it easy to switch over to them whenever necessary. Solving differential equations with different methods from different languages and packages can be done by changing one line of code, allowing for easy benchmarking to ensure you are using the fastest method possible. -
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MSCC Applications Support
Materials and Computational Chemistry applications on HPC platform
...These are the set of codes (software) developed by the investigators to perform the computations to study the properties of atoms, molecules, clusters, alloys, bio-molecules, and composite materials using high-performance computing (HPC). For more information on the softwares developed under MSCC please go to: https://sourceforge.net/p/mscc-applications-nsm/wiki/ To download the versions of the MSCC softwares installed on NSM HPC systems please go to: https://github.com/mscc07/mscc To download the test input dataset please go to: https://github.com/mscc07/mscc-testinput For training material please go to: http://www.youtube.com/@mscctraining -
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VMS Draw
user-friendly access to the latest computational spectroscopy tools
VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set... -
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Distributed MultiThreaded Checkpointing
Checkpoint/Restart functionality for Linux processes
...With the use of TightVNC, it can also checkpoint and restart X-Window applications. 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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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). ... -
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OpenMultiphysics
Application Integration for HPC Multiphysics
The OpenMultiphysics project is the home for community-driven development of application integration technologies designed to aid in the design and implementation of multiphysics simulation capabilities. Design and development in this project is driven by the Consortium for Open Multiphysics. Feel free to visit us at our GitHub site as well: https://github.com/IllinoisRocstar/IMPACT -
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CASUP
Cellular Automata library for SUPercomputers (CASUP)
CASUP is a Cellular Automata (CA) library for HPC and supercomputers. It can be used in materials science (microstructure evolution, grain coarsening, fracture etc.), physics (Ising magnetisation) and for many other CA. If you use the library, please reference it as: A. Shterenlikht, L. Margetts, Three-dimensional cellular automata modelling of cleavage propagation across crystal boundaries in polycrystalline microstructures, Proc. -
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coarrays
A free Fortran 2008, 2018 coarrays course with notes and exercises
...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). The course is aimed at experienced Fortran users. Working knowledge of Fortran is assumed. The course is designed for a 1 day study with an instructor. Multiple exercises with full solutions are accompanied by notes. This course is taught to the University of Bristol HPC users. Exercises have been verified with Intel and GCC/OpenCoarrays. ... -
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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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IPS Framework
A simple Python framework for loosely-coupled multiphysics simulations
The IPS Framework has migrated to https://github.com/HPC-SimTools/IPS-framework The IPS framework was developed to support loosely-coupled integrated modeling of fusion plasmas (and was originally the Integrated Plasma Simulator). However, the design is quite general, and is suitable for many scientific and engineering domains. In addition to plasma physics, it is also being used in the engineering of batteries. -
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BOWS
Bioinformatics Open Web Services
BOWS is a generic system based on Web Services which allows programmatic access to applications running on HPC clusters. BOWS allows incorporation of several independent applications since programmers can install them in HPC clusters in any programming language. The lonely requirement is to write a script named “arrow” which calls BOWS back-end services periodically in order to check for new processes and their required parameters. If a new process is found, the “arrow” script should change the requisition status from waiting to running, run the process in the HPC cluster and, when the job is complete, call a BOWS back-end service to send the results. ... -
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ViralFusionSeq [VFS]
Accurately discover viral integration events and fusion transcripts
.... ** Announcement 1**: VFS is superior to Virus-Clip. https://sourceforge.net/projects/viralfusionseq/files/VFS.vs.Virus-Clip.pdf/download As of 2016, VFS is the only viral integration tool available at NIH HPC system. https://hpc.nih.gov/apps/ViralFusionSeq/ ViralFusionSeq (VFS) is a versatile high-throughput sequencing (HTS) tool for discovering viral integration events and reconstruct fusion transcripts at single-base resolution. VFS combines soft-clipping information, read-pair analysis, and targeted de novo assembly to discover and annotate viral-human fusion events. ... -
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CRAFT HPC Floating-point Analysis
CRAFT: Configurable Runtime Analysis for Floating-point Tuning
CRAFT (Configurable Runtime Analysis for Floating-point Tuning) for HPC (High-Performance Computing) uses binary instrumentation to perform runtime analysis of floating-point code, detecting cancellations and making precision level recommendations. NOTE: THIS PROJECT HAS MOVED TO GITHUB!!!! https://github.com/crafthpc/craft -
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Making the tools of annotation languages, source-to-source code transformation and code generation more useful and accessible to the developers of scientific and engineering software for high-performance computers.
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mapgraph
Massively Parallel Graph processing on GPUs -- now part of Blazegraph
...The early work was co-developed with the University of Utah SCI Institute and has its pedigree in the UINTAH software running on over 750M cores on the TITAN Super Computer. Today, SYSTAP has commercialized this technology into it’s Blazegraph Accelerator and Blazegraph HPC products. Checkout our options for GPU acceleration of graphs or contact us to learn more: https://www.blazegraph.com/product/gpu-accelerated/. The early work was released under the Apache 2 open source license and is available on here at Sourceforge. This work was (partially) funded by the DARPA XDATA program under AFRL Contract #FA8750-13-C-0002 and DARPA Contract #D14PC00029. -
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virtualbelgium
parallelized micro-simulation of large population
The VirtualBelgium project aims at developing understanding of the evolution of the Belgian population using simulation and considers various aspects of this evolution (demographics, residential choice, activity patterns, mobility, ...). It is based on a validated synthetic population for the country and is intrinsically multi-disciplinary. -
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XNDiff
X-ray and Neutron powder pattern simulation analysis
Keywords (XNDiff): -SAXS -SANS -absolute units -core (double)shell crystalline nanoparticles -with a parallelepidal shape -particle assemblies -powder and ensemble average -C/C++ -Unix -OpenMP -HPC Cluster Keywords (BatchMultiFit): -simultaneous fits for several SAXS and SANS curves with simulation data from XNDiff -SANS data can be smeared with dq values from experimental data sets or analytical functions -Mathematica console -local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters -parallelized (typ. 4-8 threads) TODO (BatchMultiFit): -read and use errorbars from experimental data sets -allow different q-ranges for different data sets in the fits -rewrite and test in Python using e.g. the lmfit module: https://pypi.python.org/pypi/lmfit/ to get rid of Mathematica and to run it on HPC clusters -
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Kepler Monitoring
Kepler is a monitoring system for HPC clusters
Kepler is a monitoring system for HPC clusters : it allows users to monitor cluster elements like nodes, network devices and storage nodes. Analyse can be centered on jobs to determine performances and behaviours. -
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Dress Up RNA seq
End-to-end automated pipeline of RNA seq packages for an HPC system
The purpose of DressUp is to create an end-to-end RNA seq pipeline in which all of the steps of analyzing data from an Illumina sequencer is done in one step in an HPC environment. RNA seq programs included are TopHat, CuffLinks, CuffDiff, CuffMerge, FastQC, and trimming using the FastX toolkit. DressUp facilitates RNA seq programs by streamlining various packages into a single script. That script executes the RNA seq programs on a batch cluster system. Upon execution of the script, jobs are submitted to the cluster depending on attributes set up in the configuration file. ... -
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minder
Monitoring your infrastructure for free.
This software presents a flexible and configurable proposal for monitoring and management of real and virtual HPC infrastructures, compatible with paradigm of cloud computing. We help you to answer: 1) What is the performance of my resources? 2) What equipment and resources do we have already? 3) What do we need to upgrade or repair? 4) What can we consolidate to reduce complexity or reduce energy use? 5) What resources would be better reused somewhere else? -
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icetools provides a development environment for numerical ice flow models/simulations. Nonlinear rheology and Stokes approach are implemented. "Ready to use" programs/scripts are available based on different numerical libraries, from educational to HPC
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HPC cloud computing for OpenFOAM (R) users
