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Available Software

The computational packages listed below are made available on ACRES, most via the loading of lmod modules.  Please note that software is added frequently, so this list may not be comprehensive. 

For instructions on loading the modules you need or to get an up-to-the-minute accurate list of available software, please see the "How To Find Software" page.

How-to articles have been written for some of the available software to help you get started:

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The following is a list of the modules currently available:
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Anaconda3: Anaconda3/2020.02
Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open
data science analytics architecture.

Autoconf: Autoconf/2.69-GCCcore-7.3.0, Autoconf/2.69-GCCcore-8.2.0, Autoconf/2.69-GCCcore-8.3.0
Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages. These scripts can adapt the packages to many kinds
of UNIX-like systems without manual user intervention. Autoconf creates a configuration script for a package from a template file that lists the operating system features that the
package can use, in the form of M4 macro calls.

Automake: Automake/1.16.1-GCCcore-7.3.0, Automake/1.16.1-GCCcore-8.2.0, Automake/1.16.1-GCCcore-8.3.0
Automake: GNU Standards-compliant Makefile generator

Autotools: Autotools/20180311-GCCcore-7.3.0, Autotools/20180311-GCCcore-8.2.0, Autotools/20180311-GCCcore-8.3.0
This bundle collect the standard GNU build tools: Autoconf, Automake and libtool

BWA: BWA/0.7.17-GCC-8.3.0
Burrows-Wheeler Aligner (BWA) is an efficient program that aligns relatively short nucleotide sequences against a long reference sequence such as the human genome.

Bazel: Bazel/2.0.0-GCCcore-8.3.0
Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software.

Bison: Bison/3.0.4-GCCcore-7.3.0, Bison/3.0.4, Bison/3.0.5-GCCcore-7.3.0, Bison/3.0.5-GCCcore-8.2.0, Bison/3.0.5, Bison/3.3.2-GCCcore-8.3.0, Bison/3.3.2
Bison is a general-purpose parser generator that converts an annotated context-free grammar into a deterministic LR or generalized LR (GLR) parser employing LALR(1) parser tables.

Blitz++: Blitz++/1.02-GCCcore-8.3.0
Blitz++ is a (LGPLv3+) licensed meta-template library for array manipulation in C++ with a speed comparable to Fortran implementations, while preserving an object-oriented interface

Boost: Boost/1.71.0-gompi-2019b
Boost provides free peer-reviewed portable C++ source libraries.

CMake: CMake/3.13.3-GCCcore-8.2.0, CMake/3.15.3-GCCcore-8.3.0
CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software.

DL_POLY_Classic: DL_POLY_Classic/1.10-foss-2019b
DL_POLY Classic is a general purpose (parallel and serial) molecular dynamics simulation package.

Doxygen: Doxygen/1.8.15-GCCcore-8.2.0, Doxygen/1.8.16-GCCcore-8.3.0
Doxygen is a documentation system for C++, C, Java, Objective-C, Python, IDL (Corba and Microsoft flavors), Fortran, VHDL, PHP, C#, and to some extent D.

EasyBuild: EasyBuild/3.9.4, EasyBuild/4.2.2
EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way.

Eigen: Eigen/3.3.7
Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.

FFTW: FFTW/3.3.8-gompi-2018b, FFTW/3.3.8-gompi-2019a, FFTW/3.3.8-gompi-2019b
FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data.

FFmpeg: FFmpeg/4.2.1-GCCcore-8.3.0
A complete, cross-platform solution to record, convert and stream audio and video.

FastQC: FastQC/0.11.9-Java-11
FastQC is a quality control application for high throughput sequence data. It reads in sequence data in a variety of formats and can either provide an interactive application to
review the results of several different QC checks, or create an HTML based report which can be integrated into a pipeline.

FriBidi: FriBidi/1.0.5-GCCcore-8.3.0
The Free Implementation of the Unicode Bidirectional Algorithm.

GCC: GCC/7.3.0-2.30, GCC/8.2.0-2.31.1, GCC/8.3.0
The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).

GCCcore: GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/8.3.0
The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).

GLib: GLib/2.60.1-GCCcore-8.2.0
GLib is one of the base libraries of the GTK+ project

GMP: GMP/6.1.2-GCCcore-7.3.0, GMP/6.1.2-GCCcore-8.2.0, GMP/6.1.2-GCCcore-8.3.0
GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers.

GSL: GSL/2.5-GCC-8.2.0-2.31.1, GSL/2.6-GCC-8.3.0
The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. The library provides a wide range of mathematical routines such as random number generators,
special functions and least-squares fitting.

Ghostscript: Ghostscript/9.27-GCCcore-8.2.0
Ghostscript is a versatile processor for PostScript data with the ability to render PostScript to different targets. It used to be part of the cups printing stack, but is no longer
used for that.

GlobalArrays: GlobalArrays/5.7
Global Arrays is a portable Non-Uniform Memory Access (NUMA) shared-memory programming environment for distributed and shared memory computers.

Guile: Guile/1.8.8-GCCcore-8.3.0
Guile is a programming language, designed to help programmers create flexible applications that can be extended by users or other programmers with plug-ins, modules, or scripts.

HDF5: HDF5/1.10.5-gompi-2019a, HDF5/1.10.5-gompi-2019b
HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for
high volume and complex data.

Hypre: Hypre/2.18.2-foss-2019b
Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. The problems of interest arise in the simulation codes being developed at
LLNL and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.

ICU: ICU/64.2-GCCcore-8.2.0
ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization support for software applications.

ImageMagick: ImageMagick/7.0.8-46-GCCcore-8.2.0
ImageMagick is a software suite to create, edit, compose, or convert bitmap images

JasPer: JasPer/2.0.14-GCCcore-8.2.0
The JasPer Project is an open-source initiative to provide a free software-based reference implementation of the codec specified in the JPEG-2000 Part-1 standard.

Java: Java/1.8.0_261, Java/11.0.2
Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers.

LAME: LAME/3.100-GCCcore-8.3.0
LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL.

LAMMPS: LAMMPS/3Mar2020-foss-2019b-Python-3.7.4-kokkos
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals,
semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle
simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation
domain. The code is designed to be easy to modify or extend with new functionality.

LLVM: LLVM/7.0.1-GCCcore-8.2.0
The LLVM Core libraries provide a modern source- and target-independent optimizer, along with code generation support for many popular CPUs (as well as some less common ones!) These
libraries are built around a well specified code representation known as the LLVM intermediate representation ("LLVM IR"). The LLVM Core libraries are well documented, and it is
particularly easy to invent your own language (or port an existing compiler) to use LLVM as an optimizer and code generator.

LibTIFF: LibTIFF/4.0.10-GCCcore-8.2.0
tiff: Library and tools for reading and writing TIFF data files

LittleCMS: LittleCMS/2.9-GCCcore-8.2.0
Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance.

M4: M4/1.4.17, M4/1.4.18-GCCcore-7.3.0, M4/1.4.18-GCCcore-8.2.0, M4/1.4.18-GCCcore-8.3.0, M4/1.4.18
GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 compatible although it has some extensions (for example, handling more than 9 positional
parameters to macros). GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc.

METIS: METIS/5.1.0-GCCcore-8.3.0
METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented
in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes.

MUMPS: MUMPS/5.2.1-foss-2019b-metis
A parallel sparse direct solver

Mako: Mako/1.0.8-GCCcore-8.2.0
A super-fast templating language that borrows the best ideas from the existing templating languages

MariaDB-connector-c: MariaDB-connector-c/2.3.7-GCCcore-8.2.0
MariaDB Connector/C is used to connect applications developed in C/C++ to MariaDB and MySQL databases.

Mesa: Mesa/19.0.1-GCCcore-8.2.0
Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics.

Meson: Meson/0.50.0-GCCcore-8.2.0-Python-3.7.2
Meson is a cross-platform build system designed to be both as fast and as user friendly as possible.

NAMD: NAMD/2.14b2-ib-smp, NAMD/2.14b2-ib
Nanoscale Molecular Dynamics is computer software for molecular dynamics simulation

NASM: NASM/2.14.02-GCCcore-8.2.0, NASM/2.14.02-GCCcore-8.3.0
NASM: General-purpose x86 assembler

NLopt: NLopt/2.6.1-GCCcore-8.2.0
NLopt is a free/open-source library for nonlinear optimization, providing a common interface for a number of different free optimization routines available online as well as original
implementations of various other algorithms.

NWChem: NWChem/7.0.0
Open Source High-Performance Computational Chemistry

Ninja: Ninja/1.9.0-GCCcore-8.2.0
Ninja is a small build system with a focus on speed.

OpenBLAS: OpenBLAS/0.3.1-GCC-7.3.0-2.30, OpenBLAS/0.3.5-GCC-8.2.0-2.31.1, OpenBLAS/0.3.7-GCC-8.3.0
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

OpenMPI: OpenMPI/3.1.1-GCC-7.3.0-2.30, OpenMPI/3.1.3-GCC-8.2.0-2.31.1, OpenMPI/3.1.4-GCC-8.3.0
The Open MPI Project is an open source MPI-3 implementation.

PCRE: PCRE/8.43-GCCcore-8.2.0, PCRE/8.43-GCCcore-8.3.0
The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5.

PETSc: PETSc/3.12.4-foss-2019b
PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial
differential equations.

PLUMED: PLUMED/2.5.3-foss-2019b-Python-3.7.4
PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy
calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella
sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

ParMETIS: ParMETIS/4.0.3-gompi-2019b
ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse
matrices. ParMETIS extends the functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and large scale numerical simulations.
The algorithms implemented in ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning schemes.

Perl: Perl/5.28.0-GCCcore-7.3.0, Perl/5.28.1-GCCcore-8.2.0, Perl/5.30.0-GCCcore-8.3.0
Larry Wall's Practical Extraction and Report Language

Pth: Pth/2.0.7-GCCcore-8.3.0
Pth is a very portable POSIX/ANSI-C based library for Unix platforms which provides non-preemptive priority-based scheduling for multiple threads of execution (aka
``multithreading'') inside event-driven applications.

Pyomo: Pyomo/5.5.0-foss-2018b-Python-3.6.6
Pyomo is a Python-based open-source software package that supports a diverse set of optimization capabilities for formulating and analyzing optimization models.

Python: Python/2.7.15-GCCcore-8.2.0, Python/3.6.6-foss-2018b, Python/3.7.2-GCCcore-8.2.0, Python/3.7.4-GCCcore-8.3.0
Python is a programming language that lets you work more quickly and integrate your systems more effectively.

Qualimap: Qualimap/2.2.1-foss-2019a-R-3.6.0
Qualimap 2 is a platform-independent application written in Java and R that provides both a Graphical User Inteface (GUI) and a command-line interface to facilitate the quality
control of alignment sequencing data and its derivatives like feature counts.

R: R/3.6.0-foss-2019a
R is a free software environment for statistical computing and graphics.

R-bundle-Bioconductor: R-bundle-Bioconductor/3.9-foss-2019a-R-3.6.0
Bioconductor provides tools for the analysis and coprehension of high-throughput genomic data.

SAMtools: SAMtools/1.9-foss-2018b
SAM Tools provide various utilities for manipulating alignments in the SAM format, including sorting, merging, indexing and generating alignments in a per-position format.

SCOTCH: SCOTCH/6.0.9-gompi-2019b
Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning.

SLEPc: SLEPc/3.12.2-foss-2019b
SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution of large scale sparse eigenvalue problems on parallel computers. It is an
extension of PETSc and can be used for either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a partial SVD of a large,
sparse, rectangular matrix, and to solve quadratic eigenvalue problems.

SQLite: SQLite/3.24.0-GCCcore-7.3.0, SQLite/3.27.2-GCCcore-8.2.0, SQLite/3.29.0-GCCcore-8.3.0
SQLite: SQL Database Engine in a C Library

ScaLAPACK: ScaLAPACK/2.0.2-gompi-2018b-OpenBLAS-0.3.1, ScaLAPACK/2.0.2-gompi-2019a-OpenBLAS-0.3.5, ScaLAPACK/2.0.2-gompi-2019b
The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.

SciPy-bundle: SciPy-bundle/2019.10-foss-2019b-Python-3.7.4
Bundle of Python packages for scientific software

SuiteSparse: SuiteSparse/5.6.0-foss-2019b-METIS-5.1.0
SuiteSparse is a collection of libraries manipulate sparse matrices.

Szip: Szip/2.1.1-GCCcore-8.2.0, Szip/2.1.1-GCCcore-8.3.0
Szip compression software, providing lossless compression of scientific data

Tcl: Tcl/8.6.8-GCCcore-7.3.0, Tcl/8.6.9-GCCcore-8.2.0, Tcl/8.6.9-GCCcore-8.3.0
Tcl (Tool Command Language) is a very powerful but easy to learn dynamic programming language, suitable for a very wide range of uses, including web and desktop applications,
networking, administration, testing and many more.

TensorFlow: TensorFlow/2.2.0-foss-2019b-Python-3.7.4
An open-source software library for Machine Intelligence

Tk: Tk/8.6.9-GCCcore-8.2.0, Tk/8.6.9-GCCcore-8.3.0
Tk is an open source, cross-platform widget toolchain that provides a library of basic elements for building a graphical user interface (GUI) in many different programming languages.

Tkinter: Tkinter/3.7.4-GCCcore-8.3.0
Tkinter module, built with the Python buildsystem

Trimmomatic: Trimmomatic/0.39-Java-11
Trimmomatic performs a variety of useful trimming tasks for illumina paired-end and single ended data.The selection of trimming steps and their associated parameters are supplied on
the command line.

UDUNITS: UDUNITS/2.2.26-GCCcore-8.2.0
UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of
measurement.

Valgrind: Valgrind/3.15.0-foss-2019b
Valgrind: Debugging and profiling tools

Voro++: Voro++/0.4.6-foss-2019b
Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation. A distinguishing feature of the Voro++ library is that it carries out
cell-based calculations, computing the Voronoi cell for each particle individually. It is particularly well-suited for applications that rely on cell-based statistics, where features
of Voronoi cells (eg. volume, centroid, number of faces) can be used to analyze a system of particles.

X11: X11/20190311-GCCcore-8.2.0, X11/20190717-GCCcore-8.3.0
The X Window System (X11) is a windowing system for bitmap displays

XZ: XZ/5.2.4-GCCcore-7.3.0, XZ/5.2.4-GCCcore-8.2.0, XZ/5.2.4-GCCcore-8.3.0
xz: XZ utilities

Yasm: Yasm/1.3.0-GCCcore-8.3.0
Yasm: Complete rewrite of the NASM assembler with BSD license

Zip: Zip/3.0-GCCcore-8.3.0
Zip is a compression and file packaging/archive utility. Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own UnZip, our
primary objectives have been portability and other-than-MSDOS functionality

abaqus: abaqus/2019
software suite for finite element analysis and computer-aided engineering

archspec: archspec/0.1.0-GCCcore-8.3.0-Python-3.7.4
A library for detecting, labeling, and reasoning about microarchitectures

autotools: autotools
Developer utilities

binutils: binutils/2.30-GCCcore-7.3.0, binutils/2.30, binutils/2.31.1-GCCcore-8.2.0, binutils/2.31.1, binutils/2.32-GCCcore-8.3.0, binutils/2.32
binutils: GNU binary utilities

boost: boost/1.71.0
Boost free peer-reviewed portable C++ source libraries

bzip2: bzip2/1.0.6-GCCcore-7.3.0, bzip2/1.0.6-GCCcore-8.2.0, bzip2/1.0.8-GCCcore-8.3.0
bzip2 is a freely available, patent free, high-quality data compressor. It typically compresses files to within 10% to 15% of the best available techniques (the PPM family of
statistical compressors), whilst being around twice as fast at compression and six times faster at decompression.

cURL: cURL/7.60.0-GCCcore-7.3.0, cURL/7.63.0-GCCcore-8.2.0, cURL/7.66.0-GCCcore-8.3.0
libcurl is a free and easy-to-use client-side URL transfer library, supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP, LDAPS, POP3, POP3S, RTMP, RTSP, SCP,
SFTP, SMTP, SMTPS, Telnet and TFTP. libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP form based upload, proxies, cookies, user+password authentication
(Basic, Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling and more.

cairo: cairo/1.16.0-GCCcore-8.2.0
Cairo is a 2D graphics library with support for multiple output devices. Currently supported output targets include the X Window System (via both Xlib and XCB), Quartz, Win32, image
buffers, PostScript, PDF, and SVG file output. Experimental backends include OpenGL, BeOS, OS/2, and DirectFB

clustershell: clustershell/1.8.2
VIM files for ClusterShell

cmake: cmake/3.15.4
CMake is an open-source, cross-platform family of tools designed to build, test and package software.

cp2k: cp2k/7.1.0
Quantum chemistry and solid state physics software package

dimemas: dimemas/5.4.1
Dimemas tool

eQE: eQE/0.2.0
eQE is a generalization of Quantum ESPRESSO tailored to perform large-scale subsystem DFT simulations.

espresso: espresso/6.5
Integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.

expat: expat/2.2.5-GCCcore-7.3.0, expat/2.2.6-GCCcore-8.2.0, expat/2.2.7-GCCcore-8.3.0
Expat is an XML parser library written in C. It is a stream-oriented parser in which an application registers handlers for things the parser might find in the XML document (like
start tags)

extrae: extrae/3.7.0
Extrae tool

fftw: fftw/3.3.8
A Fast Fourier Transform library

flex: flex/2.6.4-GCCcore-7.3.0, flex/2.6.4-GCCcore-8.2.0, flex/2.6.4-GCCcore-8.3.0, flex/2.6.4
Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner, sometimes called a tokenizer, is a program which recognizes lexical patterns in text.

fontconfig: fontconfig/2.13.1-GCCcore-8.2.0, fontconfig/2.13.1-GCCcore-8.3.0
Fontconfig is a library designed to provide system-wide font configuration, customization and application access.

foss: foss/2018b, foss/2019a, foss/2019b
GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.

freetype: freetype/2.9.1-GCCcore-8.2.0, freetype/2.10.1-GCCcore-8.3.0
FreeType 2 is a software font engine that is designed to be small, efficient, highly customizable, and portable while capable of producing high-quality output (glyph images). It can
be used in graphics libraries, display servers, font conversion tools, text image generation tools, and many other products as well.

gaussian: gaussian/16c01
Gaussian provides state-of-the-art capabilities for electronic structure modeling.

gc: gc/7.6.12-GCCcore-8.3.0
The Boehm-Demers-Weiser conservative garbage collector can be used as a garbage collecting replacement for C malloc or C++ new.

gettext: gettext/0.19.8.1-GCCcore-8.2.0, gettext/0.19.8.1, gettext/0.20.1-GCCcore-8.3.0
GNU 'gettext' is an important step for the GNU Translation Project, as it is an asset on which we may build many other steps. This package offers to programmers, translators, and
even users, a well integrated set of tools and documentation

git: git/2.23.0-GCCcore-8.3.0-nodocs
Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency.

gnu: gnu/5.4.0
GNU Compiler Family (C/C++/Fortran for x86_64)

gnu8: gnu8/8.3.0
GNU Compiler Family (C/C++/Fortran for x86_64)

gompi: gompi/2018b, gompi/2019a, gompi/2019b
GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support.

gperf: gperf/3.1-GCCcore-8.2.0, gperf/3.1-GCCcore-8.3.0
GNU gperf is a perfect hash function generator. For a given list of strings, it produces a hash function and hash table, in form of C or C++ code, for looking up a value depending on
the input string. The hash function is perfect, which means that the hash table has no collisions, and the hash table lookup needs a single string comparison only.

gzip: gzip/1.10-GCCcore-8.3.0
gzip (GNU zip) is a popular data compression program as a replacement for compress

h5py: h5py/2.10.0-foss-2019b-Python-3.7.4
HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, version 5. HDF5 is a versatile, mature scientific software library designed for
the fast, flexible storage of enormous amounts of data.

help2man: help2man/1.47.4-GCCcore-7.3.0, help2man/1.47.4, help2man/1.47.7-GCCcore-8.2.0, help2man/1.47.8-GCCcore-8.3.0
help2man produces simple manual pages from the '--help' and '--version' output of other commands.

hwloc: hwloc/1.11.10-GCCcore-7.3.0, hwloc/1.11.11-GCCcore-8.2.0, hwloc/1.11.12-GCCcore-8.3.0, hwloc/2.1.0
The Portable Hardware Locality (hwloc) software package provides a portable abstraction (across OS, versions, architectures, ...) of the hierarchical topology of modern
architectures, including NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various system attributes such as cache and memory
information as well as the locality of I/O devices such as network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering information about
modern computing hardware so as to exploit it accordingly and efficiently.

imb: imb/2018.1
Intel MPI Benchmarks (IMB)

intltool: intltool/0.51.0-GCCcore-8.2.0, intltool/0.51.0-GCCcore-8.3.0
intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files.

kim-api: kim-api/2.1.3-foss-2019b
Open Knowledgebase of Interatomic Models. KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used
by simulation programs to get access to the models in the OpenKIM database. This EasyBuild only installs the API, the models can be installed with the package openkim-models, or the
user can install them manually by running kim-api-collections-management install user MODELNAME or kim-api-collections-management install user OpenKIM to install them all.

libGLU: libGLU/9.0.0-GCCcore-8.2.0
The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL.

libdrm: libdrm/2.4.97-GCCcore-8.2.0
Direct Rendering Manager runtime library.

libffi: libffi/3.2.1-GCCcore-7.3.0, libffi/3.2.1-GCCcore-8.2.0, libffi/3.2.1-GCCcore-8.3.0
The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface
description at run-time.

libjpeg-turbo: libjpeg-turbo/2.0.2-GCCcore-8.2.0, libjpeg-turbo/2.0.3-GCCcore-8.3.0
libjpeg-turbo is a fork of the original IJG libjpeg which uses SIMD to accelerate baseline JPEG compression and decompression. libjpeg is a library that implements JPEG image
encoding, decoding and transcoding.

libmatheval: libmatheval/1.1.11-GCCcore-8.3.0
GNU libmatheval is a library (callable from C and Fortran) to parse and evaluate symbolic expressions input as text.

libpciaccess: libpciaccess/0.14-GCCcore-7.3.0, libpciaccess/0.14-GCCcore-8.2.0, libpciaccess/0.14-GCCcore-8.3.0
Generic PCI access library.

libpng: libpng/1.6.36-GCCcore-8.2.0, libpng/1.6.37-GCCcore-8.3.0
libpng is the official PNG reference library

libreadline: libreadline/7.0-GCCcore-7.3.0, libreadline/8.0-GCCcore-8.2.0, libreadline/8.0-GCCcore-8.3.0
The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in. Both Emacs and vi editing modes are
available. The Readline library includes additional functions to maintain a list of previously-entered command lines, to recall and perhaps reedit those lines, and perform csh-like
history expansion on previous commands.

libsndfile: libsndfile/1.0.28-GCCcore-8.2.0
Libsndfile is a C library for reading and writing files containing sampled sound (such as MS Windows WAV and the Apple/SGI AIFF format) through one standard library interface.

libtool: libtool/2.4.6-GCCcore-7.3.0, libtool/2.4.6-GCCcore-8.2.0, libtool/2.4.6-GCCcore-8.3.0
GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface.

libunistring: libunistring/0.9.10-GCCcore-8.3.0
This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard.

libunwind: libunwind/1.3.1-GCCcore-8.2.0
The primary goal of libunwind is to define a portable and efficient C programming interface (API) to determine the call-chain of a program. The API additionally provides the means to
manipulate the preserved (callee-saved) state of each call-frame and to resume execution at any point in the call-chain (non-local goto). The API supports both local (same-process)
and remote (across-process) operation. As such, the API is useful in a number of applications

libxml2: libxml2/2.9.8-GCCcore-7.3.0, libxml2/2.9.8-GCCcore-8.2.0, libxml2/2.9.9-GCCcore-8.3.0
Libxml2 is the XML C parser and toolchain developed for the Gnome project (but usable outside of the Gnome platform).

likwid: likwid/4.3.4
Toolsuite of command line applications for performance oriented programmers

llvm5: llvm5/5.0.1
LLVM Compiler Infrastructure

matplotlib: matplotlib/3.1.1-foss-2019b-Python-3.7.4
matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can
be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits.

metis: metis/5.1.0
Metis development files

molmod: molmod/1.4.5-foss-2019b-Python-3.7.4
MolMod is a Python library with many compoments that are useful to write molecular modeling programs.

mpiP: mpiP/3.4.1
mpiP: a lightweight profiling library for MPI applications.

mpich: mpich/3.2.1, mpich/3.3.1
MPICH MPI implementation

muParser: muParser/2.2.5-GCCcore-8.3.0
muParser is an extensible high performance math expression parser library written in C++. It works by transforming a mathematical expression into bytecode and precalculating constant
parts of the expression.

muparser: muparser/2.2.6
extensible high performance math expression parser library

mvapich2: mvapich2/2.2, mvapich2/2.3.2
OSU MVAPICH2 MPI implementation

ncdf4: ncdf4/1.16.1-foss-2019a-R-3.6.0
ncdf4: Interface to Unidata netCDF (version 4 or earlier) format data files

ncurses: ncurses/6.0, ncurses/6.1-GCCcore-7.3.0, ncurses/6.1-GCCcore-8.2.0, ncurses/6.1-GCCcore-8.3.0
The Ncurses (new curses) library is a free software emulation of curses in System V Release 4.0, and more. It uses Terminfo format, supports pads and color and multiple highlights
and forms characters and function-key mapping, and has all the other SYSV-curses enhancements over BSD Curses.

netCDF: netCDF/4.6.2-gompi-2019a, netCDF/4.7.1-gompi-2019b
NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific
data.

netcdf: netcdf/4.7.1
C Libraries for the Unidata network Common Data Form

netcdf-cxx: netcdf-cxx/4.3.1
C++ Libraries for the Unidata network Common Data Form

netcdf-fortran: netcdf-fortran/4.5.2
Fortran Libraries for the Unidata network Common Data Form

nettle: nettle/3.4.1-GCCcore-8.2.0
Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, ...), in
applications like LSH or GNUPG, or even in kernel space.

numactl: numactl/2.0.11-GCCcore-7.3.0, numactl/2.0.12-GCCcore-8.2.0, numactl/2.0.12-GCCcore-8.3.0
The numactl program allows you to run your application program on specific cpu's and memory nodes. It does this by supplying a NUMA memory policy to the operating system before
running your program. The libnuma library provides convenient ways for you to add NUMA memory policies into your own program.

numpy: numpy/1.12.1
NumPy array processing for numbers, strings, records and objects

ohpc: ohpc

omb: omb/5.6.2
OSU Micro-benchmarks

openblas: openblas/0.2.20, openblas/0.3.7
An optimized BLAS library based on GotoBLAS2

openmpi: openmpi/1.10.7
A powerful implementation of MPI

openmpi3: openmpi3/3.1.4
A powerful implementation of MPI

openucx: openucx/1.8.1
Unified Communication X (UCX) is an award winning, optimized production proven communication framework for modern, high-bandwidth and low-latency networks.

papi: papi/5.7.0
Performance Application Programming Interface

pdtoolkit: pdtoolkit/3.25
PDT is a framework for analyzing source code

phdf5: phdf5/1.10.5
A general purpose library and file format for storing scientific data

pixman: pixman/0.38.0-GCCcore-8.2.0
Pixman is a low-level software library for pixel manipulation, providing features such as image compositing and trapezoid rasterization. Important users of pixman are the cairo
graphics library and the X server.

pkg-config: pkg-config/0.29.2-GCCcore-8.2.0, pkg-config/0.29.2-GCCcore-8.3.0
pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test
test.c `pkg-config --libs --cflags glib-2.0` for instance, rather than hard-coding values on where to find glib (or other libraries).

pkgconfig: pkgconfig/1.5.1-GCCcore-8.3.0-Python-3.7.4
pkgconfig is a Python module to interface with the pkg-config command line tool

plumed: plumed/2.6.0

pmix: pmix/2.2.2

prun: prun/1.3
job launch utility for multiple MPI families

py2-mpi4py: py2-mpi4py/3.0.2
Python bindings for the Message Passing Interface (MPI) standard.

py2-numpy: py2-numpy/1.15.3
NumPy array processing for numbers, strings, records and objects

py2-scipy: py2-scipy/1.2.1
Scientific Tools for Python

py3-mpi4py: py3-mpi4py/3.0.1
Python bindings for the Message Passing Interface (MPI) standard.

py3-numpy: py3-numpy/1.15.3
NumPy array processing for numbers, strings, records and objects

py3-scipy: py3-scipy/1.2.1
Scientific Tools for Python

pybind11: pybind11/2.4.3-GCCcore-8.3.0-Python-3.7.4
pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code.

scalapack: scalapack/2.0.2
A subset of LAPACK routines redesigned for heterogenous computing

scalasca: scalasca/2.5
Toolset for performance analysis of large-scale parallel applications

scorep: scorep/6.0
Scalable Performance Measurement Infrastructure for Parallel Codes

singularity: singularity/3.4.1
Application and environment virtualization

sionlib: sionlib/1.7.4
Scalable I/O Library for Parallel Access to Task-Local Files

spack: spack/0.12.1
Spack package management

tau: tau/2.28
Tuning and Analysis Utilities Profiling Package

tbb: tbb/2019_U9-GCCcore-8.3.0
Intel(R) Threading Building Blocks (Intel(R) TBB) lets you easily write parallel C++ programs that take full advantage of multicore performance, that are portable, composable and
have future-proof scalability.

trilinos: trilinos/12.14.1
A collection of libraries of numerical algorithms

util-linux: util-linux/2.33-GCCcore-8.2.0, util-linux/2.34-GCCcore-8.3.0
Set of Linux utilities

valgrind: valgrind/3.15.0
Memory debugging utilities

x264: x264/20190925-GCCcore-8.3.0
x264 is a free software library and application for encoding video streams into the H.264/MPEG-4 AVC compression format, and is released under the terms of the GNU GPL.

x265: x265/3.2-GCCcore-8.3.0
x265 is a free software library and application for encoding video streams into the H.265 AVC compression format, and is released under the terms of the GNU GPL.

xorg-macros: xorg-macros/1.19.2-GCCcore-7.3.0, xorg-macros/1.19.2-GCCcore-8.2.0, xorg-macros/1.19.2-GCCcore-8.3.0
X.org macros utilities.

yaff: yaff/1.6.0-foss-2019b-Python-3.7.4
Yaff stands for 'Yet another force field'. It is a pythonic force-field code.

zlib: zlib/1.2.11-GCCcore-7.3.0, zlib/1.2.11-GCCcore-8.2.0, zlib/1.2.11-GCCcore-8.3.0, zlib/1.2.11
zlib is designed to be a free, general-purpose, legally unencumbered -- that is, not covered by any patents -- lossless data-compression library for use on virtually any computer
hardware and operating system.

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