Modules¶
This is a list of all software available via the modules system on Midway. Use the command
module load <modulename>
to load any of these modules in to your environment.
See Using software modules on Midway for more information.
- 3D modeling
- Optimization
- alignment
- assembler
- astrophysics
- biology
- browser
- checkpointing
- chemistry
- climate
- compilers
- computation
- container
- data
- data analysis
- database
- debugging
- development
- docs
- documentation
- fluid dynamics
- general programming
- genetics
- genetics and genomics
- genome
- genomics
- geoscience
- graphical interfaces
- graphs
- high energy physics
- high performance computing
- image processing
- imaging
- library
- machine learning
- materials
- mathematics
- media
- medical
- medicine
- molecular dynamics
- multi media player and framework
- multimedia
- natural language processing
- neuroscience
- numerical analysis
- performance analysis
- physics
- population
- proteins
- simulation
- statistics
- system
- testing
- text
- text editor
- typesetting
- version control
- video
- video/audio
- visualization
- workflow
3D modeling¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
ArtiSynth | artisynth/2.8, artisynth/2.9 (default), artisynth/3.1, artisynth/svn | 3-D biomechanical modeling | |
Blender | blender/2.68 (default) | blender/2.78a (default) | 3D animation suite |
POV-Ray | povray/3.6.1 (default) | ray tracing program which generates images from text-based scene |
Optimization¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
gurobi | gurobi/6.0 (default) | The Gurobi Optimizer is the state-of-the-art math programming solver able to handle all major problem types. See why so many companies are choosing Gurobi for better performance, faster development, and better support. |
alignment¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
muscle | muscle/3.8 (default), muscle/3.8.31 | muscle/3.8.31 (default) |
assembler¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
OpenGL Extension Wrangler Library (GLEW) | glew/1.7, glew/1.9 (default) | glew/1.9, glew/2.0.0 (default) | cross-platform C/C++ OpenGL extension loading library |
Yasm | yasm/1.2 (default), yasm/1.3.0 | yasm/1.3.0 (default) | x86 assembler |
astrophysics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
CCfits | ccfits/2.4 (default) | ccfits/2.5 (default) | object oriented interface to the cfitsio library |
CFITSIO | cfitsio/3 (default), cfitsio/3+intel-12.1, cfitsio/3+intel-15.0 | cfitsio/3, cfitsio/3+gcc-6.2 (default) | library for reading and writing data files in FITS data format |
Fermi Science Tools | fermi-fssc/v10r0p5, fermi-fssc/v9r31p1 (default), fermi-fssc/v9r33p0 | suite of tools for the analysis of both LAT and GBM data | |
Ionization FRont Interactive Tool (IFrIT) | ifrit/3.4 (default) | 3D visualization software focused on cosmological simulations | |
snid | snid/5.0 (default) | snid/5.0 (default) | Supernova Identification software |
yt | yt/3.0 (default), yt/3.1 | visualization and analysis tool for cosmological data |
biology¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
PhyML | PhyML/3.1 (default) | phylogeny software based on the maximum-likelihood principle | |
AFNI | afni/latest (default) | afni/latest (default) | neuroimaging data analysis |
ArtiSynth | artisynth/2.8, artisynth/2.9 (default), artisynth/3.1, artisynth/svn | 3-D biomechanical modeling | |
BEAGLE | beagle/trunk (default) | beagle/trunk (default) | library for core calculations with phylogenetics packages |
BEAST | beast/1.7 (default), beast/1.8, beast/2.3 | beast/1.8 (default) | Bayesian analysis of molecular sequences |
Basic Local Alignment Search Tool (BLAST) | blastplus/2.2 (default) | blastplus/2.5 (default) | biological search alignment tool |
bowtie | bowtie/2.2 (default) | bowtie/1.1.2 (default) | DNA sequence alignment software |
bowtie2 | bowtie2/2.2 (default) | bowtie2/2.2.9 (default) | DNA sequence alignment software |
Bwakit | bwa/0.7.10 (default) | Burrow-Wheeler Aligner for pairwise alignment between DNA sequences | |
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
cufflinks | cufflinks/2.2 (default) | cufflinks/2.2 (default) | Transcriptome assembly and differential expression analysis for RNA-Seq. |
ExaBays | exabayes/1.3 (default) | Bayesian tree inference | |
ExaML | examl/git (default) | MPI code for phylogenetic inference using Maximum Likelihood | |
fastqc | fastqc/0.11 (default) | fastqc/0.11.5 (default) | A quality control tool for high throughput sequence data. |
fasttree | fasttree/2.1.8 (default) | fasttree/2.1.8 (default) | FastTree infers approximately-maximum-likelihood phylogenetic trees from alignments of nucleotide or protein sequences. |
fastx_toolkit | fastx_toolkit/0.0 (default) | A collection of command-line tools for FASTA sequence files preprocessing | |
FreeSurfer | freesurfer/5.3 (default) | analysis and visualization of structural and functional brain imaging data | |
MM/PBSA method for GROMACS | g_mmpbsa/1.0.0 (default) | calculation of components of binding energy using MM-PBSA method | |
Gromacs | gromacs/4.5.5, gromacs/4.6+intel-12.1 (default), gromacs/4.6-cuda+intel-12.1, gromacs/5.0+intelmpi-5.0+intel-15.0, gromacs/5.0-cuda+intelmpi-5.0+intel-15.0 | molecular dynamics simulation | |
hmmer | hmmer/3.1b2 (default) | hmmer/3.1b2 (default) | HMMER is used for searching sequence databases for homologs of protein sequences, and for making protein sequence alignments. |
HOOMD-blue | hoomd/0.11 (default), hoomd/0.11.0, hoomd/1.0, hoomd/1.1, hoomd/1.1-double, hoomd/1.1-double+intelmpi-5.0+intel-15.0 | general-purpose particle simulation toolkit | |
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) | lammps/10Aug2015+intelmpi-5.0+intel-15.0, lammps/9Dec2014+intelmpi-5.0+intel-15.0, lammps/cuda-9Dec2014+intelmpi-5.0+intel-15.0, lammps/trunk (default) | molecular dynamics simulation | |
Libint | libint/1.1 (default), libint/2.0 | evaluation of two-body molecular integrals over Gaussian functions and optimizing compiler | |
mfold | mfold/3.6 (default) | RNA structure prediction software | |
Migrate-n | migrate-n/3.6 (default) | estimation of population size and gene flow | |
mothur | mothur/1.36 (default) | mothur/1.36 (default) | Bioinformatics tool for microbial ecology community |
motioncorr | motioncorr/2.1 (default) | This program corrects whole frame image motion recordded with dose fractionated image stack. | |
mpiBLAST | mpiblast/trunk (default) | improved implementation of NCBI BLAST, find homology in biological sequences | |
MrBayes | mrbayes/release (default) | Bayesian inference and model choice for phylogenetic and evolutionary models | |
muscle | muscle/3.8 (default), muscle/3.8.31 | muscle/3.8.31 (default) | |
NAMD | namd/2.10+intelmpi-5.0+intel-15.0, namd/2.10-cuda+intelmpi-5.0+intel-15.0, namd/2.10b1, namd/2.9 (default), namd/2.9-cuda | namd/2.11+intelmpi-5.1+intel-16.0 (default) | parallel molecular dynamics code for biomolecular system simulation |
openbabel | openbabel/2.3 (default), openbabel/2.3.1 | toolbox for using chemical data | |
picard | picard/1.138 (default) | a set of tools in Java for working with sequencing data in the BAM format | |
PICRUSt | picrust/1.0 (default) | bioinformatics software package designed to predict metagenome functional content | |
prodigal | prodigal/2.6.2 (default) | microbial (bacterial and archaeal) gene finding program | |
pycelegans | pycelegans/0.4, pycelegans/0.5, pycelegans/0.61 (default) | Parallel image processing code that identifies C. elegans in images | |
QIIME | qiime/1.6, qiime/1.7 (default), qiime/1.8, qiime/1.9 | open source software package for comparison and analysis of microbial communities | |
RAPSearch | rapsearch/2 (default) | Reduced Alphabet based Protein similarity Search | |
Randomized Axelerated Maximum Likelihood (RAxML) | raxml/trunk (default) | sequential and parallel Maximum Likelihood based inference of large phylogenetic trees | |
samtools | samtools/1.2 (default) | suite of programs for interacting with high-throughout sequencing data | |
tophat | tophat/2.0 (default), tophat/2.1 | splice junction mapper for RNA-Seq reads | |
treePL | treepl/git (default) | treepl/git (default) | phylogenetic penalized likelihood program |
vmd | vmd/1.9, vmd/1.9.1, vmd/1.9.2 (default) | vmd/1.9.2 (default) | molecular visualization program |
browser¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
firefox | firefox/esr (default) | firefox/esr (default) | web browser |
checkpointing¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
dmtcp | dmtcp/2.5 (default) | dmtcp/2.5 (default) | Distributed MultiThreaded CheckPointing |
chemistry¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
abinit | abinit/7.10 (default) | Allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis. | |
Adaptive Poisson-Boltzmann Software (APBS) | apbs/1.3, apbs/1.4 (default) | analysis of solvation properties of molecules | |
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
CPMD | cpmd/3.15 (default), cpmd/3.17+intelmpi-5.0+intel-15.0 | cpmd/3.15+intelmpi-4.0+intel-12.1 (default) | parallelized plane wave/pseudopotential implementation of Density Functional Theory |
ecce-builder | ecce-builder/7 (default) | The Builder enables you to build, visualize, modify, and manipulate 3D images of chemical systems to be used in ECCE calculations. | |
Quantum ESPRESSO | espresso/5.1+intel-12.1, espresso/5.1.1+openmpi-1.8+intel-15.0, espresso/5.3.0+intelmpi-5.0+intel-15.0 (default), espresso/5.3.0-west-1.0.2+intelmpi-5.0+intel-15.0, espresso/5.4.0-epw+intelmpi-5.0+intel-15.0, espresso/5.4.0-west-1.1.0+intelmpi-5.0+intel-15.0, espresso/6.0-epw-4.1+intelmpi-5.1+intel-16.0, espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | espresso/6.0+intelmpi-5.1+intel-16.0 (default), espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | suite of codes for electronic-structure calculations and nanoscale materials modeling |
MM/PBSA method for GROMACS | g_mmpbsa/1.0.0 (default) | calculation of components of binding energy using MM-PBSA method | |
General Atomic and Molecular Electronic Structure System (GAMESS) | gamess/1May2012R1 (default) | molecular quantum chemistry computation | |
Gaussian | gaussian/09RevA.02 (default), gaussian/09RevB.01, gaussian/09RevD.01 | electronic structure and quantum chemistry | |
gpaw | gpaw/0.10+intelmpi-5.0+intel-15.0 (default) | Density-functional theory python code | |
Gromacs | gromacs/4.5.5, gromacs/4.6+intel-12.1 (default), gromacs/4.6-cuda+intel-12.1, gromacs/5.0+intelmpi-5.0+intel-15.0, gromacs/5.0-cuda+intelmpi-5.0+intel-15.0 | molecular dynamics simulation | |
Gromacs compiled with PLUMED | gromacs-plumed/1.3+intelmpi-4.0+intel-12.1 (default), gromacs-plumed/1.3+openmpi-1.6 | gromacs molecular dynamics simulation compiled with plumed free energy calculation | |
HOOMD-blue | hoomd/0.11 (default), hoomd/0.11.0, hoomd/1.0, hoomd/1.1, hoomd/1.1-double, hoomd/1.1-double+intelmpi-5.0+intel-15.0 | general-purpose particle simulation toolkit | |
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) | lammps/10Aug2015+intelmpi-5.0+intel-15.0, lammps/9Dec2014+intelmpi-5.0+intel-15.0, lammps/cuda-9Dec2014+intelmpi-5.0+intel-15.0, lammps/trunk (default) | molecular dynamics simulation | |
Libint | libint/1.1 (default), libint/2.0 | evaluation of two-body molecular integrals over Gaussian functions and optimizing compiler | |
NAMD | namd/2.10+intelmpi-5.0+intel-15.0, namd/2.10-cuda+intelmpi-5.0+intel-15.0, namd/2.10b1, namd/2.9 (default), namd/2.9-cuda | namd/2.11+intelmpi-5.1+intel-16.0 (default) | parallel molecular dynamics code for biomolecular system simulation |
NWChem | nwchem/6.5+intelmpi-5.0+intel-15.0 (default) | nwchem/6.6+intelmpi-5.1+intel-16.0 (default) | Software toolkit for computational chemistry |
openbabel | openbabel/2.3 (default), openbabel/2.3.1 | toolbox for using chemical data | |
OpenFOAM | openfoam/2.1 (default), openfoam/pegged+openmpi-1.6 | C++ toolbox for developing customized numerical solvers, and pre-/post-processing utilities for solving continuum mechanics problems | |
OpenMM | openmm/5.2, openmm/6.0 (default), openmm/6.1, openmm/6.2 | A toolkit for molecular simulation using high performance GPU code. | |
ORCA | orca/3.0 (default) | a general purpose tool for quantum chemistry with emphasis on spectroscopic properties of open-shell molecules | |
PLUMED | plumed/2.1 (default), plumed/2.1+intelmpi-5.0+gcc-4.8, plumed/2.1+intelmpi-5.0+intel-15.0, plumed/2.2+intelmpi-5.0+intel-15.0 | library for free energy calculations in molecular systems | |
PSI4 | psi/4.0+intel-15.0 (default) | suite of ab initio quantum chemistry programs | |
siesta | siesta/3.2 (default), siesta/trunk-462 | SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids | |
wannier90 | wannier90/2.0 (default) | Maximally localized Wannier functions. | |
xc | xc/2.2+intel-15.0 (default) | C library for density-functional theory | |
xcrysden | xcrysden/1.5 (default) | xcrysden/1.5 (default) | XCrySDen is a crystalline and molecular structure visualization program |
climate¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
afterburner | afterburner/4.7 (default) | afterburner/4.7 (default) | The standard post-processor for ECHAM model data. |
Climate Data Operators (CDO) | cdo/1.5 (default), cdo/1.6 | cdo/1.7 (default) | analysis of climate and NWP model data |
wgrib2 | wgrib2/0.1 (default) | read and write grib2 files |
compilers¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Ant | ant/1.8.4 (default), ant/1.9 | ant/1.8.4 (default), ant/1.9.7 | Java library and command-line tool for building Java applications |
clang | clang/3.6+gcc-4.8 (default), clang/trunk | clang/3.8.0, clang/3.9 (default) | C compiler from LLVM project |
free pascal | freepascal/2.6 (default) | Pascal compiler | |
GNU Compiler Collection (GCC) | gcc/4.7, gcc/4.8 (default), gcc/4.9, gcc/6.1 | gcc/4.4.7, gcc/6.1, gcc/6.2 (default) | C/C++/Fortran compiler suite |
Glasgow Haskell Compiler (GHC) | ghc/6.8 (default), ghc/7.4, ghc/7.8 | optimizing Haskell compiler | |
Go | go/1.3 (default), go/1.6 | programming language | |
Intel Parallel Studio | intel/11.1, intel/12.1 (default), intel/13.1, intel/14.0, intel/15.0, intel/16.0 | intel/12.1, intel/15.0, intel/16.0 (default) | C/C++/Fortran compiler suite, including Intel Threaded-Building-Blocks |
java | java/1.7, java/1.8 (default) | java/1.7, java/1.8 (default) | programming language |
Julia | julia/0.3 (default), julia/0.4, julia/0.5+intel-15.0, julia/0.5-bw, julia/0.5-bw+intel-15.0, julia/git | programming language | |
Libint | libint/1.1 (default), libint/2.0 | evaluation of two-body molecular integrals over Gaussian functions and optimizing compiler | |
PGI Compiler Suite | pgi/2012 (default), pgi/2013, pgi/2016 | pgi/2016 (default) | C/C++/Fortran compiler suite |
racket | racket/5.3 (default) | racket/6.7 (default) | full-spectrum programming language |
Yasm | yasm/1.2 (default), yasm/1.3.0 | yasm/1.3.0 (default) | x86 assembler |
computation¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
GNU Octave | octave/3.6 (default) | octave/4.0 (default) | high-level language for numerical computations |
container¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
singularity | singularity/2.0, singularity/2.1.2, singularity/2.2 (default) | singularity/2.2 (default) | Application container |
data¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
CCfits | ccfits/2.4 (default) | ccfits/2.5 (default) | object oriented interface to the cfitsio library |
CFITSIO | cfitsio/3 (default), cfitsio/3+intel-12.1, cfitsio/3+intel-15.0 | cfitsio/3, cfitsio/3+gcc-6.2 (default) | library for reading and writing data files in FITS data format |
cnvgrib | cnvgrib/1.4 (default) | encoder/decoder for GRIB2 meteorological data | |
curl | curl/7.44 (default) | curl/7.50 (default) | tool and library for transferring data over the internet |
ferret | ferret/6.9 (default) | ferret/6.9 (default) | An interactive computer visualization and analysis environment designed to meet the needs of oceanographers and meteorologists analyzing large and complex gridded data set |
Globus | globus/5.2 (default) | data transfer utility | |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
GRIB-API | grib_api/1.9 (default) | grib_api/1.18 (default) | encoding and decoding WMO FM-92 GRIB edition 1 and edition 2 messages |
hdf4 | hdf4/4.2 (default) | data model, library, and file format for storing and managing data | |
HDF5 | hdf5/1.8 (default), hdf5/1.8.15, hdf5/1.8.17+pgi-2016 | hdf5/1.10.0-patch1+intelmpi-5.1+intel-16.0, hdf5/1.8.16+intelmpi-5.1+intel-16.0, hdf5/1.8.17 (default), hdf5/1.8.17+intel-16.0 | data model, library, and file format for storing and managing data |
HDF5 | hdf5_hl/1.8.17+pgi-2016 (default) | hdf5_hl/1.8.17 (default), hdf5_hl/1.8.17+intel-16.0 | data model, library, and file format for storing and managing data |
JasPer | jasper/1.900 (default) | jasper/1.900 (default) | reference implementation of the codec specified in the JPEG-2000 Part-1 standard |
LevelDB | leveldb/1 (default) | key-value storage library | |
loaddap | loaddap/3.7.2 (default) | The Matlab loaddap Tool provides a way to read any DAP-accessible data into Matlab. | |
NCAR Command Language (NCL) | ncl_ncarg/6.1 (default), ncl_ncarg/6.2, ncl_ncarg/6.3 | interpreted language designed for data analysis and visualization | |
netCDF Operator (NCO) | nco/4.2, nco/4.3 (default), nco/4.4 | command-line programs for manipulation and analysis of netCDF-accessible formatted data | |
netCDF | netcdf/3.6.3, netcdf/3.6.3+intel-12.1, netcdf/4.2 (default), netcdf/4.2+intel-12.1, netcdf/4.2+intel-13.1, netcdf/4.3, netcdf/4.3+intel-15.0, netcdf/4.3+pgi-2016, netcdf/4.4+intel-15.0 | netcdf/4.4.1 (default), netcdf/4.4.1+intel-16.0 | software library for self-describing, machine-independent data formats |
netcdf-fortran | netcdf-fortran/4.2+intel-13.1, netcdf-fortran/4.4+intel-15.0 (default), netcdf-fortran/4.4+pgi-2016 | netcdf-fortran/4.4.4 (default), netcdf-fortran/4.4.4+intel-16.0 | Fortran bindings for Netcdf |
openbabel | openbabel/2.3 (default), openbabel/2.3.1 | toolbox for using chemical data | |
panoply | panoply/4 (default) | Panoply is a cross-platform application that plots geo-gridded and other arrays from netCDF, HDF, GRIB, and other datasets. | |
Google Protocol Buffers | protobuf/2.4, protobuf/2.5 (default) | protobuf/2.7 (default) | serialize structured data |
QD | qd/2.3.14 (default) | computational library | |
redis | redis/2.8 (default) | redis/3.2 (default) | A key-value cache and store server |
spark | spark/1.3, spark/1.4, spark/1.5, spark/1.6 (default), spark/2.0.2 | spark/2.0.2 (default) | Apache Spark is a fast and general engine for large-scale data processing. |
sra_toolkit | sra_toolkit/2.6 (default) | sra_toolkit/2.6 (default) | a collection of tools and libraries for using data in the INSDC Sequence Read Archives |
treePL | treepl/git (default) | treepl/git (default) | phylogenetic penalized likelihood program |
UnRAR | unrar/5.0 (default) | unrar/5.4 (default) | utility for extracting rar format archives |
Xerces-C++ XML Parser | xerces/3.1, xerces/3.1.4 (default) | xerces/2.8.0, xerces/3.1.4 (default) | validating XML parser written in C++ |
Xerces-C++ XML Parser | xercesc/2.8 (default) | validating XML parser written in C++ | |
zlib | zlib/1.2 (default) | zlib/1.2 (default) | compression library |
data analysis¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
ROOT | ROOT/5.26, ROOT/5.34 (default), ROOT/5.34+python-2.7-2014q1, ROOT/6.06 | ROOT/5.34.14, ROOT/6.06.08 (default) | program library for particle physics data analysis |
CLUTO | cluto/2.1 (default) | cluto/2.1 (default) | clustering low- and high-dimensional datasets and for analysis of various clusters |
hmmer | hmmer/3.1b2 (default) | hmmer/3.1b2 (default) | HMMER is used for searching sequence databases for homologs of protein sequences, and for making protein sequence alignments. |
jags | jags/4.0.1 (default), jags/4.2.0 | jags/4.2.0 (default) | JAGS is Just Another Gibbs Sampler. It is a program for the statistical analysis of Bayesian hierarchical models by Markov Chain Monte Carlo. |
libspatialindex | spatialindex/1.8 (default) | library for spatial indexing and queries | |
sra_toolkit | sra_toolkit/2.6 (default) | sra_toolkit/2.6 (default) | a collection of tools and libraries for using data in the INSDC Sequence Read Archives |
Teem | teem/trunk (default) | teem/trunk (default) | scientific raster data visualization |
Weka | weka/3.6 (default) | machine learning algorithms |
database¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Basic Local Alignment Search Tool (BLAST) | blastplus/2.2 (default) | blastplus/2.5 (default) | biological search alignment tool |
GNU dbm (GDBM) | gdbm/1.8 (default) | library for on-disk hashed databases | |
hdf4 | hdf4/4.2 (default) | data model, library, and file format for storing and managing data | |
HDF5 | hdf5/1.8 (default), hdf5/1.8.15, hdf5/1.8.17+pgi-2016 | hdf5/1.10.0-patch1+intelmpi-5.1+intel-16.0, hdf5/1.8.16+intelmpi-5.1+intel-16.0, hdf5/1.8.17 (default), hdf5/1.8.17+intel-16.0 | data model, library, and file format for storing and managing data |
HDF5 | hdf5_hl/1.8.17+pgi-2016 (default) | hdf5_hl/1.8.17 (default), hdf5_hl/1.8.17+intel-16.0 | data model, library, and file format for storing and managing data |
hmmer | hmmer/3.1b2 (default) | hmmer/3.1b2 (default) | HMMER is used for searching sequence databases for homologs of protein sequences, and for making protein sequence alignments. |
LevelDB | leveldb/1 (default) | key-value storage library | |
SpatiaLite | libspatialite/4.0 (default) | extension of SQLite core with Spatial SQL capabilities | |
mpiBLAST | mpiblast/trunk (default) | improved implementation of NCBI BLAST, find homology in biological sequences | |
mysql | mysql/5.6 (default) | MySQL database server | |
netCDF | netcdf/3.6.3, netcdf/3.6.3+intel-12.1, netcdf/4.2 (default), netcdf/4.2+intel-12.1, netcdf/4.2+intel-13.1, netcdf/4.3, netcdf/4.3+intel-15.0, netcdf/4.3+pgi-2016, netcdf/4.4+intel-15.0 | netcdf/4.4.1 (default), netcdf/4.4.1+intel-16.0 | software library for self-describing, machine-independent data formats |
PostgreSQL | postgresql/9.2 (default), postgresql/9.3, postgresql/9.6 | postgresql/9.6 (default) | client for postgres database server |
redis | redis/2.8 (default) | redis/3.2 (default) | A key-value cache and store server |
debugging¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
GNU Data Display Debugger (DDD) | ddd/3.3 (default) | ddd/3.3+gcc-6.2 (default) | graphical front-end for command-line debuggers |
Allinea DDT | ddt/5.0 (default) | ddt/5.0 (default) | debugger |
GNU Debugger (GDB) | gdb/7.10, gdb/7.9 (default) | gdb/7.12+gcc-6.2 (default) | A command-line program for tracing and altering the execution of compiled programs for the purposes of debugging. |
Valgrind | valgrind/3.7, valgrind/3.8, valgrind/3.9 (default) | valgrind/3.12+gcc-6.2 (default) | debugging and profiling tools, most commonly used to locate memory errors, including leaks, but also can be used to debug threaded codes and profile cache efficiency. |
Valkyrie | valkyrie/2.0 (default) | GUI for analyzing output from Valgrind tools |
development¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Anaconda2 | Anaconda2/4.1.1 (default) | Anaconda2/4.1.1 (default) | Anaconda2 python distribution |
Anaconda3 | Anaconda3/4.1.1 (default) | Anaconda3/4.1.1 (default) | Anaconda2 python distribution |
AMD Accelerated Parallel Processing SDK | amdappsdk/2.7 (default) | development platform for accelerating applications | |
Ant | ant/1.8.4 (default), ant/1.9 | ant/1.8.4 (default), ant/1.9.7 | Java library and command-line tool for building Java applications |
ANother Tool for Language Recognition (ANTLR) | antlr/2.7 (default) | parser generator for computer-based language recognition | |
Autoconf | autoconf/2.68 (default) | autoconf/2.68 (default) | configures software source code packages |
Automake | automake/1.13 (default) | automake/1.13 (default) | automatically generates makefile |
Bash Automated Testing System (BATS) | bats/latest (default) | bats/latest (default) | TAP compliant testing framework for bash |
Boost | boost/1.50, boost/1.51, boost/1.55+python-2.7-2014q1, boost/1.58+intel-15.0, boost/1.58+openmpi-1.8, boost/1.58+python-2.7-2015q2, boost/1.61 (default), boost/1.62.0+gcc-4.7, boost/1.62.0+gcc-6.1, boost/1.62.0+openmpi-1.6+gcc-4.7 | boost/1.51.0 (default), boost/1.62.0, boost/1.62.0+intelmpi-5.1+intel-16.0, boost/1.62.0+openmpi-1.6 | portable C++ source libraries |
Caffe | caffe/git (default) | framework for deep learning | |
check | check/0.10.0 (default) | Check is a unit testing framework for C | |
clang | clang/3.6+gcc-4.8 (default), clang/trunk | clang/3.8.0, clang/3.9 (default) | C compiler from LLVM project |
cmake | cmake/2.8, cmake/3.2, cmake/3.4, cmake/3.6.1 (default) | cmake/3.6.2 (default) | cross-platform build system |
Nvidia CUDA Toolkit | cuda/4.2, cuda/5.0, cuda/5.5, cuda/6.5 (default), cuda/7.0, cuda/7.5, cuda/8.0 | cuda/6.5 (default), cuda/7.5, cuda/8.0 | parallel computing platform and programming model |
Nvidia cuDNN | cudnn/6.5 (default) | GPU accelerated deep learning | |
GNU Data Display Debugger (DDD) | ddd/3.3 (default) | ddd/3.3+gcc-6.2 (default) | graphical front-end for command-line debuggers |
Allinea DDT | ddt/5.0 (default) | ddt/5.0 (default) | debugger |
dos2unix | dos2unix/7.3.5 (default) | dos2unix/7.3.5 (default) | Dos2Unix / Unix2Dos - Text file format converters |
free pascal | freepascal/2.6 (default) | Pascal compiler | |
GNU Compiler Collection (GCC) | gcc/4.7, gcc/4.8 (default), gcc/4.9, gcc/6.1 | gcc/4.4.7, gcc/6.1, gcc/6.2 (default) | C/C++/Fortran compiler suite |
gcj | gcj/6.2+gcc-6.2 (default) | GNU implementation of java | |
GNU Debugger (GDB) | gdb/7.10, gdb/7.9 (default) | gdb/7.12+gcc-6.2 (default) | A command-line program for tracing and altering the execution of compiled programs for the purposes of debugging. |
Glasgow Haskell Compiler (GHC) | ghc/6.8 (default), ghc/7.4, ghc/7.8 | optimizing Haskell compiler | |
git-lfs | git-lfs/1.3 (default) | git-lfs/1.4 (default) | an open source git extension for versioning large files |
OpenGL Extension Wrangler Library (GLEW) | glew/1.7, glew/1.9 (default) | glew/1.9, glew/2.0.0 (default) | cross-platform C/C++ OpenGL extension loading library |
Google Logging Library (glog) | glog/0.3 (default) | glog/0.3 (default) | application-level logging |
Go | go/1.3 (default), go/1.6 | programming language | |
GNU Scientific Library (GSL) | gsl/1.15, gsl/1.16 (default), gsl/2.2.1+gcc-6.1, gsl/2.2.1+intel-15.0 | gsl/1.16, gsl/2.2.1 (default), gsl/2.2.1+gcc-6.2, gsl/2.2.1+intel-12.1, gsl/2.2.1+intel-16.0 | numerical C/C++ numerical library |
haskell-stack | haskell-stack/1.1 (default) | cross-platform program for developing Haskell projects | |
Intel Parallel Studio | intel/11.1, intel/12.1 (default), intel/13.1, intel/14.0, intel/15.0, intel/16.0 | intel/12.1, intel/15.0, intel/16.0 (default) | C/C++/Fortran compiler suite, including Intel Threaded-Building-Blocks |
Java 3D (j3d) | j3d/1.5 (default) | 3D API for Java | |
java | java/1.7, java/1.8 (default) | java/1.7, java/1.8 (default) | programming language |
JRuby | jruby/1.7 (default) | implementation of Ruby programming language atop the Java Virtual Machine | |
Julia | julia/0.3 (default), julia/0.4, julia/0.5+intel-15.0, julia/0.5-bw, julia/0.5-bw+intel-15.0, julia/git | programming language | |
libcheck | libcheck/0.10 (default) | Unit testing framework for C | |
libedit | libedit/0.3 (default) | Non-GPL replacement for readline library. A spin-off from NetBSD code. Aim is for 100% readline API compatibility | |
libffi | libffi/3.2 (default) | A portable foreign-function interface library | |
libgmp | libgmp/6.1 (default) | The GNU multiple precision arithmetic library | |
libpng | libpng/1.2 (default) | Reference library for supporting the Portable Network Graphics (PNG) format. | |
GNU Libtool | libtool/2.4 (default) | generic library support script | |
lua | lua/5.3.3 (default) | Lua is a powerful, efficient, lightweight, embeddable scripting language | |
Mathematica | mathematica/10.0, mathematica/10.2, mathematica/8.0, mathematica/9.0 (default) | mathematica/10.2 (default) | symbolic mathematical software |
Matlab | matlab/2011b, matlab/2012a, matlab/2012b, matlab/2013b, matlab/2014b (default), matlab/2016a | matlab/2014b (default), matlab/2016a | high level language and interactive environment for numerical computation, visualization, and programming |
Maven | maven/3.1 (default) | software project management and comprehension tool | |
Metis | metis/5.1 (default) | metis/5.1 (default) | Serial Graph Partitioning and Fill-reducing Matrix Ordering |
Mono | mono/2.10 (default) | open source implementation of Microsoft’s .NET Framework | |
Node.js | node/0.10.29 (default) | node/6.9 (default) | framework for building network applications |
Program Database Toolkit (PDT) | pdtoolkit/3.18 (default) | framework for analyzing source code | |
php | php/7.0 (default) | php/7.0 (default) | general-purpose scripting language for web development |
Python | python/2.7, python/2.7-2013q4, python/2.7-2014q1, python/2.7-2014q2, python/2.7-2014q3, python/2.7-2015q1, python/2.7-2015q2 (default), python/2.7.12+gcc-4.7, python/2.7.12+gcc-6.1, python/3.3, python/3.4-2015q1, python/3.5.2+gcc-4.8 | python/2.7.12 (default), python/2.7.12+intel-16.0, python/2.7.12-nompi, python/3.5.2, python/3.5.2+intel-16.0 | A popular high-level, general purpose programming language with a large set of libraries and packages for many scientific and research tasks. |
Python | python_ucs4/2.7.12 (default) | A popular high-level, general purpose programming language with a large set of libraries and packages for many scientific and research tasks. | |
QT | qt/3.3, qt/4.7, qt/4.8 (default) | qt/4.8, qt/5.7 (default) | cross-platform application framework |
racket | racket/5.3 (default) | racket/6.7 (default) | full-spectrum programming language |
Ruby | ruby/2.1 (default) | ruby/2.3 (default) | programming language |
scilab | scilab/5.5 (default) | scilab/5.5 (default) | environment for numerical computation |
Apache Serf | serf/1.3.9 (default) | High performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library | |
SML/NJ | smlnj/110.74, smlnj/110.76, smlnj/110.79, smlnj/110.80 (default) | smlnj/110.79, smlnj/110.80 (default) | compiler for the Standard ML ‘97 programming language |
Snack | snack/2.2 (default) | create audio applications with a scripting language | |
Google Sparsehash | sparsehash/2.0 (default) | sparsehash/2.0 (default) | hash-map library implementation |
Subversion | subversion/1.6, subversion/1.7, subversion/1.8 (default), subversion/keyring | subversion/1.9.4 (default) | version control system |
swig | swig/3.0 (default) | SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages. | |
Valgrind | valgrind/3.7, valgrind/3.8, valgrind/3.9 (default) | valgrind/3.12+gcc-6.2 (default) | debugging and profiling tools, most commonly used to locate memory errors, including leaks, but also can be used to debug threaded codes and profile cache efficiency. |
Yasm | yasm/1.2 (default), yasm/1.3.0 | yasm/1.3.0 (default) | x86 assembler |
docs¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Doxygen | doxygen/1.8 (default) | doxygen/1.8 (default) | documentation generation from annotated sources in various languages such as C, C++, Java, etc |
flex | flex/2.5 (default) | flex/2.6.1 (default) | Fast lexical analyzer generator |
gettext | gettext/0.19.8 (default) | Set of tools that provides a framework to help other GNU packages produce multi-lingual messages | |
Texinfo | texinfo/4.13a (default) | texinfo/4.13a (default) | official GNU documentation format |
documentation¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Doxygen | doxygen/1.8 (default) | doxygen/1.8 (default) | documentation generation from annotated sources in various languages such as C, C++, Java, etc |
Texinfo | texinfo/4.13a (default) | texinfo/4.13a (default) | official GNU documentation format |
TeX Live | texlive/2012, texlive/2016 (default) | texlive/2016 (default) | TeX typesetting system |
fluid dynamics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
OpenFOAM | openfoam/2.1 (default), openfoam/pegged+openmpi-1.6 | C++ toolbox for developing customized numerical solvers, and pre-/post-processing utilities for solving continuum mechanics problems |
general programming¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
R | R/2.15, R/2.15+intel-12.1, R/3.0, R/3.0+intel-12.1, R/3.1, R/3.1+intel-15.0, R/3.2 (default), R/3.2+intel-15.0 | R/2.15, R/3.0, R/3.2, R/3.3 (default), R/3.3+intel-16.0 | programming language/environment for statistical computation and graphics |
Go | go/1.3 (default), go/1.6 | programming language | |
haskell-stack | haskell-stack/1.1 (default) | cross-platform program for developing Haskell projects | |
IDL | idl/8.2 (default) | idl/8.2 (default) | scientific programming language for visualization |
java | java/1.7, java/1.8 (default) | java/1.7, java/1.8 (default) | programming language |
JRuby | jruby/1.7 (default) | implementation of Ruby programming language atop the Java Virtual Machine | |
libffi | libffi/3.2 (default) | A portable foreign-function interface library | |
libgmp | libgmp/6.1 (default) | The GNU multiple precision arithmetic library | |
libpng | libpng/1.2 (default) | Reference library for supporting the Portable Network Graphics (PNG) format. | |
Matlab | matlab/2011b, matlab/2012a, matlab/2012b, matlab/2013b, matlab/2014b (default), matlab/2016a | matlab/2014b (default), matlab/2016a | high level language and interactive environment for numerical computation, visualization, and programming |
Node.js | node/0.10.29 (default) | node/6.9 (default) | framework for building network applications |
numba | numba/0.20+python-2.7-2015q2 (default) | Python JIT compilation layer for numeric codes | |
GNU Octave | octave/3.6 (default) | octave/4.0 (default) | high-level language for numerical computations |
Perl | perl/5.18 (default) | perl/5.24.1 (default) | programming language |
php | php/7.0 (default) | php/7.0 (default) | general-purpose scripting language for web development |
PyPy | pypy/1.8 (default) | fast Python implementation | |
Python | python/2.7, python/2.7-2013q4, python/2.7-2014q1, python/2.7-2014q2, python/2.7-2014q3, python/2.7-2015q1, python/2.7-2015q2 (default), python/2.7.12+gcc-4.7, python/2.7.12+gcc-6.1, python/3.3, python/3.4-2015q1, python/3.5.2+gcc-4.8 | python/2.7.12 (default), python/2.7.12+intel-16.0, python/2.7.12-nompi, python/3.5.2, python/3.5.2+intel-16.0 | A popular high-level, general purpose programming language with a large set of libraries and packages for many scientific and research tasks. |
Python | python_ucs4/2.7.12 (default) | A popular high-level, general purpose programming language with a large set of libraries and packages for many scientific and research tasks. | |
rstudio | rstudio/0.97, rstudio/0.98, rstudio/0.99 (default) | rstudio/1.1.9 (default) | Integrated development environment (IDE) for R. |
Ruby | ruby/2.1 (default) | ruby/2.3 (default) | programming language |
SML/NJ | smlnj/110.74, smlnj/110.76, smlnj/110.79, smlnj/110.80 (default) | smlnj/110.79, smlnj/110.80 (default) | compiler for the Standard ML ‘97 programming language |
Snack | snack/2.2 (default) | create audio applications with a scripting language |
genetics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
admixture | admixture/1.3.0 (default) | Maximum likelihood estimation of individual ancestries from multilocus SNP genotype datasets using the same model as STRUCTURE | |
bedtools | bedtools/2.25 (default) | The bedtools utilities are a collection of tools for a wide-range of genomics analysis tasks. The most widely-used tools enable genome arithmetic: that is, set theory on the genome. | |
bowtie | bowtie/2.2 (default) | bowtie/1.1.2 (default) | DNA sequence alignment software |
bowtie2 | bowtie2/2.2 (default) | bowtie2/2.2.9 (default) | DNA sequence alignment software |
cufflinks | cufflinks/2.2 (default) | cufflinks/2.2 (default) | Transcriptome assembly and differential expression analysis for RNA-Seq. |
ExaML | examl/git (default) | MPI code for phylogenetic inference using Maximum Likelihood | |
fastqc | fastqc/0.11 (default) | fastqc/0.11.5 (default) | A quality control tool for high throughput sequence data. |
fastx_toolkit | fastx_toolkit/0.0 (default) | A collection of command-line tools for FASTA sequence files preprocessing | |
gemma | gemma/0.95 (default) | Genome-wide Efficient Mixed Model Association algorithm for a standard linear mixed model and some of its close relatives for genome-wide association studies (GWAS) | |
HyPhy | hyphy/2.2 (default) | software package for the analysis of genetic sequences using techniques in phylogenetics, molecular evolution, and machine learning | |
mfold | mfold/3.6 (default) | RNA structure prediction software | |
plink | plink/1.07, plink/1.90 (default) | plink/1.07 (default) | PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner. |
samtools | samtools/1.2 (default) | suite of programs for interacting with high-throughout sequencing data | |
tophat | tophat/2.0 (default), tophat/2.1 | splice junction mapper for RNA-Seq reads | |
trim_galore | trim_galore/0.4 (default) | wrapper to automate trimming of nucleotide sequences | |
trinity | trinity/2.2 (default) | trinity/2.2 (default) | a novel method for the efficient and robust de novo reconstruction of transcriptomes from RNA-seq data |
genetics and genomics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
BEAGLE | beagle/trunk (default) | beagle/trunk (default) | library for core calculations with phylogenetics packages |
BEAST | beast/1.7 (default), beast/1.8, beast/2.3 | beast/1.8 (default) | Bayesian analysis of molecular sequences |
bedtools | bedtools/2.25 (default) | The bedtools utilities are a collection of tools for a wide-range of genomics analysis tasks. The most widely-used tools enable genome arithmetic: that is, set theory on the genome. | |
Basic Local Alignment Search Tool (BLAST) | blastplus/2.2 (default) | blastplus/2.5 (default) | biological search alignment tool |
Bwakit | bwa/0.7.10 (default) | Burrow-Wheeler Aligner for pairwise alignment between DNA sequences | |
ExaBays | exabayes/1.3 (default) | Bayesian tree inference | |
HyPhy | hyphy/2.2 (default) | software package for the analysis of genetic sequences using techniques in phylogenetics, molecular evolution, and machine learning | |
mpiBLAST | mpiblast/trunk (default) | improved implementation of NCBI BLAST, find homology in biological sequences | |
MrBayes | mrbayes/release (default) | Bayesian inference and model choice for phylogenetic and evolutionary models | |
PICRUSt | picrust/1.0 (default) | bioinformatics software package designed to predict metagenome functional content | |
plink | plink/1.07, plink/1.90 (default) | plink/1.07 (default) | PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner. |
QIIME | qiime/1.6, qiime/1.7 (default), qiime/1.8, qiime/1.9 | open source software package for comparison and analysis of microbial communities | |
Randomized Axelerated Maximum Likelihood (RAxML) | raxml/trunk (default) | sequential and parallel Maximum Likelihood based inference of large phylogenetic trees | |
subread | subread/1.5 (default) | Read aligner that maps reads from DNA and RNA sequencing | |
trinity | trinity/2.2 (default) | trinity/2.2 (default) | a novel method for the efficient and robust de novo reconstruction of transcriptomes from RNA-seq data |
UCLUST | uclust/1.2.22q (default) | clustering algorithm | |
vcftools | vcftools/0.1 (default) | vcftools/0.1 (default) | VCFtools is a program package designed for working with VCF files, such as those generated by the 1000 Genomes Project. The aim of VCFtools is to provide easily accessible methods for working with complex genetic variation data in the form of VCF files. |
genome¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
STAR | STAR/2.5 (default), STAR/2.5_static | Spliced Transcripts Alignment to a Reference |
genomics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
admixture | admixture/1.3.0 (default) | Maximum likelihood estimation of individual ancestries from multilocus SNP genotype datasets using the same model as STRUCTURE | |
gemma | gemma/0.95 (default) | Genome-wide Efficient Mixed Model Association algorithm for a standard linear mixed model and some of its close relatives for genome-wide association studies (GWAS) | |
interproscan | interproscan/5 (default) | Software package that allows sequences (protein and nucleic) to be scanned against InterPro’s signatures | |
plink | plink/1.07, plink/1.90 (default) | plink/1.07 (default) | PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner. |
spades | spades/3.8 (default) | solves important algorithmic and computational problems of contemporary genomics and proteomics |
geoscience¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Geospatial Data Abstraction Library (GDAL) | gdal/1.10 (default), gdal/1.11, gdal/1.11-hdf4, gdal/1.9 | gdal/2.1 (default) | translator library for raster and vector geospatial data |
Geometry Engine - Open Source (GEOS) | geos/3.4 (default) | geos/3.6 (default) | spatial predicates and functions for processing geometry |
GrADS | grads/1.8, grads/1.9, grads/2.0 (default) | manipulation and visualization of earth science data | |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
Parallel Ice Sheet Model (PISM) | pism/0.6 (default) | ice sheet model | |
PROJ.4 | proj/4.8 (default), proj/4.9 | proj/4.9 (default) | cartographic projections library |
QGIS | qgis/1.8 (default) | geographic information system | |
UDUNITS | udunits/2.1 (default) | udunits/2.2 (default) | support package for units of physical quantities |
graphical interfaces¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
OpenGL Extension Wrangler Library (GLEW) | glew/1.7, glew/1.9 (default) | glew/1.9, glew/2.0.0 (default) | cross-platform C/C++ OpenGL extension loading library |
QT | qt/3.3, qt/4.7, qt/4.8 (default) | qt/4.8, qt/5.7 (default) | cross-platform application framework |
Qt Widgets for Technical Applications (QWT) | qwt/6.0 (default) | Qt widgets for technical applications | |
Tcl Library | tcllib/1.15 (default) | library of standard routines for Tcl | |
Tk Library | tklib/0.5 (default) | utility modules for Tcl | |
wxWidgets | wxwidgets/2.8 (default), wxwidgets/3.0 | wxwidgets/3.0.0 (default) | cross-platrform GUI library |
graphs¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
mcl | mcl/14.137 (default) | mcl/14.137 (default) | Markov Cluster Algorithm |
high energy physics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
ROOT | ROOT/5.26, ROOT/5.34 (default), ROOT/5.34+python-2.7-2014q1, ROOT/6.06 | ROOT/5.34.14, ROOT/6.06.08 (default) | program library for particle physics data analysis |
CERN Program Library (CERNLIB) | cernlib/2006b (default) | collection of software for various needs of a physics research laboratory | |
Class Library for High Energy Physics (CLHEP) | clhep/2.2 (default) | clhep/2.3 (default) | C++ mathematical library for high energy physics analysis |
Fermi Science Tools | fermi-fssc/v10r0p5, fermi-fssc/v9r31p1 (default), fermi-fssc/v9r33p0 | suite of tools for the analysis of both LAT and GBM data | |
Geant4 | geant4/10.00 (default), geant4/10.01, geant4/10.02+gcc-4.8 | a toolkit for the simulation of particles through matter |
high performance computing¶
image processing¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
AFNI | afni/latest (default) | afni/latest (default) | neuroimaging data analysis |
Nvidia cuDNN | cudnn/6.5 (default) | GPU accelerated deep learning | |
Diderot | diderot/trunk, diderot/vis12 (default) | parallel domain-specific language for image analysis and visualization | |
eman | eman/2.1 (default), eman/2.12, eman/daily | A suite of scientific image processing focusing on single particle reconstruction. | |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
JasPer | jasper/1.900 (default) | jasper/1.900 (default) | reference implementation of the codec specified in the JPEG-2000 Part-1 standard |
OpenCV | opencv/2.4 (default), opencv/2.4+python-2.7-2015q1, opencv/3.1 | opencv/2.4 (default) | computer vision and machine learning software library |
SPM | spm/12, spm/8 (default) | statistical parametric mapping |
imaging¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
dicom3tools | dicom3tools/1 (default) | dicom3tools/1 (default) | command line utilities for creating, modifying, dumping and validating files of DICOM attributes |
gate | gate/7.1 (default) | Simulations of Preclinical and Clinical Scans in Emission Tomography, Transmission Tomography and Radiation Therapy |
library¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
SuperLU_dist | SuperLU_dist/5.1.0 (default) | SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines. Distributed version. | |
SuperLU_mt | SuperLU_mt/3.1 (default) | SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines. Multithreaded (OpenMP) version. | |
SuperLU_seq | SuperLU_seq/5.2.1 (default) | SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines. Sequential version. | |
atlas | atlas/3.10.3 (default) | Automatically Tuned Linear Algebra Software | |
CFITSIO | cfitsio/3 (default), cfitsio/3+intel-12.1, cfitsio/3+intel-15.0 | cfitsio/3, cfitsio/3+gcc-6.2 (default) | library for reading and writing data files in FITS data format |
GNU Scientific Library (GSL) | gsl/1.15, gsl/1.16 (default), gsl/2.2.1+gcc-6.1, gsl/2.2.1+intel-15.0 | gsl/1.16, gsl/2.2.1 (default), gsl/2.2.1+gcc-6.2, gsl/2.2.1+intel-12.1, gsl/2.2.1+intel-16.0 | numerical C/C++ numerical library |
lapack | lapack/3.6.1 (default) | Linear Algebra PACKage | |
Metis | metis/5.1 (default) | metis/5.1 (default) | Serial Graph Partitioning and Fill-reducing Matrix Ordering |
parmetis | parmetis/4.0.3 (default) | parmetis/4.0.3+intelmpi-5.1+intel-16.0 (default) | Parallel Graph Partitioning and Fill-reducing Matrix Ordering |
tiff | tiff/4.0.6 (default) | LibTIFF - TIFF Library and Utilities |
machine learning¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Nvidia cuDNN | cudnn/6.5 (default) | GPU accelerated deep learning | |
MAchine Learning for LanguagE Toolkit (MALLET) | mallet/2.0 (default), mallet/2.0.8RC3 | machine learning applications to text | |
mcl | mcl/14.137 (default) | mcl/14.137 (default) | Markov Cluster Algorithm |
OpenCV | opencv/2.4 (default), opencv/2.4+python-2.7-2015q1, opencv/3.1 | opencv/2.4 (default) | computer vision and machine learning software library |
Weka | weka/3.6 (default) | machine learning algorithms |
materials¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Quantum ESPRESSO | espresso/5.1+intel-12.1, espresso/5.1.1+openmpi-1.8+intel-15.0, espresso/5.3.0+intelmpi-5.0+intel-15.0 (default), espresso/5.3.0-west-1.0.2+intelmpi-5.0+intel-15.0, espresso/5.4.0-epw+intelmpi-5.0+intel-15.0, espresso/5.4.0-west-1.1.0+intelmpi-5.0+intel-15.0, espresso/6.0-epw-4.1+intelmpi-5.1+intel-16.0, espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | espresso/6.0+intelmpi-5.1+intel-16.0 (default), espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | suite of codes for electronic-structure calculations and nanoscale materials modeling |
mathematics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
bertini | bertini/1.5.1 (default) | bertini/1.5.1 (default) | a general-purpose solver, written in C, that was created for research about polynomial continuation |
Computational Geometry Algorithms Library (CGAL) | cgal/4.1 (default), cgal/4.1+intel-12.1 | C++ library for geometric computations | |
graph-tool | graph-tool/2.2 (default) | A Python module for manipulating and analyzing graphs and networks | |
macaulay2 | macaulay2/1.6 (default) | macaulay2/1.6 (default) | software system devoted to supporting research in algebraic geometry and commutative algebra |
Mathematica | mathematica/10.0, mathematica/10.2, mathematica/8.0, mathematica/9.0 (default) | mathematica/10.2 (default) | symbolic mathematical software |
GNU Octave | octave/3.6 (default) | octave/4.0 (default) | high-level language for numerical computations |
media¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Blender | blender/2.68 (default) | blender/2.78a (default) | 3D animation suite |
FFmpeg | ffmpeg/0.11, ffmpeg/1.1 (default), ffmpeg/2.1, ffmpeg/3.0 | ffmpeg/3.2 (default) | record, convert, and stream audio and video |
MPlayer | mplayer/stable, mplayer/trunk (default) | mplayer/1.3.0 (default) | media player |
tiff | tiff/4.0.6 (default) | LibTIFF - TIFF Library and Utilities | |
vpx | vpx/1.6 (default) | ||
x264 | x264/stable (default) | x264/0.148 (default) | application for encoding video streams into H.264/MPEG-4 AVC |
x265 | x265/2.1 (default) | x265 |
medical¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
slicer | slicer/4.4.0 (default), slicer/4.5.0 | slicer/4.5.0 (default) | Slicer, or 3D Slicer, is a free, open source software package for visualization and image analysis. |
medicine¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Basic Local Alignment Search Tool (BLAST) | blastplus/2.2 (default) | blastplus/2.5 (default) | biological search alignment tool |
dicom3tools | dicom3tools/1 (default) | dicom3tools/1 (default) | command line utilities for creating, modifying, dumping and validating files of DICOM attributes |
MM/PBSA method for GROMACS | g_mmpbsa/1.0.0 (default) | calculation of components of binding energy using MM-PBSA method | |
mpiBLAST | mpiblast/trunk (default) | improved implementation of NCBI BLAST, find homology in biological sequences |
molecular dynamics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Amber | amber/12 (default), amber/14, amber/16, amber/16+cuda-8.0 | amber/16 (default) | molecular simulations |
Adaptive Poisson-Boltzmann Software (APBS) | apbs/1.3, apbs/1.4 (default) | analysis of solvation properties of molecules | |
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
CPMD | cpmd/3.15 (default), cpmd/3.17+intelmpi-5.0+intel-15.0 | cpmd/3.15+intelmpi-4.0+intel-12.1 (default) | parallelized plane wave/pseudopotential implementation of Density Functional Theory |
Quantum ESPRESSO | espresso/5.1+intel-12.1, espresso/5.1.1+openmpi-1.8+intel-15.0, espresso/5.3.0+intelmpi-5.0+intel-15.0 (default), espresso/5.3.0-west-1.0.2+intelmpi-5.0+intel-15.0, espresso/5.4.0-epw+intelmpi-5.0+intel-15.0, espresso/5.4.0-west-1.1.0+intelmpi-5.0+intel-15.0, espresso/6.0-epw-4.1+intelmpi-5.1+intel-16.0, espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | espresso/6.0+intelmpi-5.1+intel-16.0 (default), espresso/6.0-west-2.0+intelmpi-5.1+intel-16.0 | suite of codes for electronic-structure calculations and nanoscale materials modeling |
MM/PBSA method for GROMACS | g_mmpbsa/1.0.0 (default) | calculation of components of binding energy using MM-PBSA method | |
Gaussian | gaussian/09RevA.02 (default), gaussian/09RevB.01, gaussian/09RevD.01 | electronic structure and quantum chemistry | |
Gromacs | gromacs/4.5.5, gromacs/4.6+intel-12.1 (default), gromacs/4.6-cuda+intel-12.1, gromacs/5.0+intelmpi-5.0+intel-15.0, gromacs/5.0-cuda+intelmpi-5.0+intel-15.0 | molecular dynamics simulation | |
Gromacs compiled with PLUMED | gromacs-plumed/1.3+intelmpi-4.0+intel-12.1 (default), gromacs-plumed/1.3+openmpi-1.6 | gromacs molecular dynamics simulation compiled with plumed free energy calculation | |
HOOMD-blue | hoomd/0.11 (default), hoomd/0.11.0, hoomd/1.0, hoomd/1.1, hoomd/1.1-double, hoomd/1.1-double+intelmpi-5.0+intel-15.0 | general-purpose particle simulation toolkit | |
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) | lammps/10Aug2015+intelmpi-5.0+intel-15.0, lammps/9Dec2014+intelmpi-5.0+intel-15.0, lammps/cuda-9Dec2014+intelmpi-5.0+intel-15.0, lammps/trunk (default) | molecular dynamics simulation | |
NAMD | namd/2.10+intelmpi-5.0+intel-15.0, namd/2.10-cuda+intelmpi-5.0+intel-15.0, namd/2.10b1, namd/2.9 (default), namd/2.9-cuda | namd/2.11+intelmpi-5.1+intel-16.0 (default) | parallel molecular dynamics code for biomolecular system simulation |
openbabel | openbabel/2.3 (default), openbabel/2.3.1 | toolbox for using chemical data | |
OpenMM | openmm/5.2, openmm/6.0 (default), openmm/6.1, openmm/6.2 | A toolkit for molecular simulation using high performance GPU code. | |
PyMol | pymol/svn (default) | molecular visualization | |
qbox | qbox/1.60+intelmpi-5.0+intel-15.0, qbox/1.63.5+intelmpi-5.1+intel-16.0 (default) | qbox/1.63.5+intelmpi-5.1+intel-16.0 (default) | scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism |
multi media player and framework¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
vlc | vlc/2.0.9 (default) | Application container |
multimedia¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
gstreamer | gstreamer/1.9.90 (default) | GStreamer is a library for constructing graphs of media-handling components |
natural language processing¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
EMU Speech Database System | emu/cvs (default) | collection of tools for the creation, manipulation and analysis of speech databases | |
Advanced speech signal processor library (libassp) | libassp/1 (default) | handling and analysis for speech signal files | |
MAchine Learning for LanguagE Toolkit (MALLET) | mallet/2.0 (default), mallet/2.0.8RC3 | machine learning applications to text | |
Praat | praat/5.3 (default) | speech analysis/synthesis/manipulation | |
Stanford Natural Language Processing (CoreNLP) | stanford-nlp/3.3 (default) | natural language processing | |
word2vec | word2vec/trunk (default) | computing vector representations of words |
neuroscience¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
AFNI | afni/latest (default) | afni/latest (default) | neuroimaging data analysis |
FreeSurfer | freesurfer/5.3 (default) | analysis and visualization of structural and functional brain imaging data | |
PyNEST | pynest/2.6+python-2.7-2015q1 (default), pynest/2.6-mpi+python-2.7-2015q1 | A simulator for spiking neural network models that focuses on the dynamics, size and structure of neural systems rather than on the exact morphology of individual neurons. | |
SPM | spm/12, spm/8 (default) | statistical parametric mapping |
numerical analysis¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
MINUIT2 | Minuit2/5.34 (default), Minuit2/5.34+intel-12.1, Minuit2/5.34+intel-15.0 | Minuit2/5.34 (default) | library for function minimization |
ROOT | ROOT/5.26, ROOT/5.34 (default), ROOT/5.34+python-2.7-2014q1, ROOT/6.06 | ROOT/5.34.14, ROOT/6.06.08 (default) | program library for particle physics data analysis |
SuiteSparse | SuiteSparse/4.0 (default), SuiteSparse/4.0+intel-12.1, SuiteSparse/4.2 | sparse matrix algorithms | |
Armadillo | armadillo/5.0, armadillo/5.0+intel-15.0, armadillo/7.5 (default) | C++ linear algebra software library | |
Class Library for High Energy Physics (CLHEP) | clhep/2.2 (default) | clhep/2.3 (default) | C++ mathematical library for high energy physics analysis |
CSDP | csdp/dev+intel-12.1 (default) | a C library for semidefinite programming | |
eigen | eigen/3.2 (default) | eigen/3.2 (default) | C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. |
Fastest Fourier Transform in the West (FFTW v2) | fftw2/2.1.5 (default), fftw2/2.1.5+intel-12.1, fftw2/2.1.5+intelmpi-4.0, fftw2/2.1.5+intelmpi-4.0+intel-12.1, fftw2/2.1.5+mvapich2-1.9, fftw2/2.1.5+openmpi-1.6, fftw2/2.1.5+openmpi-1.6+intel-12.1, fftw2/2.1.5+openmpi-1.6+pgi-2012, fftw2/2.1.5+pgi-2012 | computation of discrete Fourier transform | |
Fastest Fourier Transform in the West (FFTW v3) | fftw3/3.3 (default), fftw3/3.3+intel-12.1, fftw3/3.3+intel-13.1, fftw3/3.3+intel-15.0, fftw3/3.3+intelmpi-4.0, fftw3/3.3+intelmpi-4.0+intel-12.1, fftw3/3.3+intelmpi-4.1+intel-13.1, fftw3/3.3+intelmpi-5.0+intel-15.0, fftw3/3.3+mvapich2-1.9, fftw3/3.3+mvapich2-1.9+intel-12.1, fftw3/3.3+mvapich2-1.9+pgi-2012, fftw3/3.3+openmpi-1.6, fftw3/3.3+openmpi-1.6+intel-12.1, fftw3/3.3+openmpi-1.6+pgi-2012, fftw3/3.3+pgi-2012, fftw3/3.3.5+intelmpi-5.0+intel-15.0, fftw3/3.3.5+intelmpi-5.1+intel-16.0 | fftw3/3.3.5 (default), fftw3/3.3.5+intelmpi-4.0+intel-12.1, fftw3/3.3.5+intelmpi-5.1+intel-16.0 | computation of discrete Fourier transform |
graph-tool | graph-tool/2.2 (default) | A Python module for manipulating and analyzing graphs and networks | |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
GNU Scientific Library (GSL) | gsl/1.15, gsl/1.16 (default), gsl/2.2.1+gcc-6.1, gsl/2.2.1+intel-15.0 | gsl/1.16, gsl/2.2.1 (default), gsl/2.2.1+gcc-6.2, gsl/2.2.1+intel-12.1, gsl/2.2.1+intel-16.0 | numerical C/C++ numerical library |
Interior Point OPTimizer (Ipopt) | ipopt/3.11 (default) | large-scale non-linear optimization | |
KNITRO | knitro/10.0, knitro/10.1, knitro/9.0.1-z (default), knitro/9.1.0-z | knitro/10.1.0 (default) | for large-scale optimization |
Intel Math Kernel Library (MKL) | mkl/10.2, mkl/10.3 (default), mkl/11.0, mkl/11.1, mkl/11.2, mkl/11.3, mkl/2017 | mkl/10.3, mkl/11.3, mkl/2017 (default) | library of optimized numerical routines |
GNU MPFR Library (MPFR) | mpfr/3.1 (default) | mpfr/3.1.4 (default), mpfr/3.1.4+gcc-6.2 | A C library for multiple-precision floating-point computations |
MUltifrontal Massively Parallel sparse direct Solver (MUMPS) | mumps/4.10 (default) | parallel sparse direct solver | |
GNU Octave | octave/3.6 (default) | octave/4.0 (default) | high-level language for numerical computations |
OpenBLAS | openblas/0.2.6 (default) | optimized BLAS library | |
PETSc | petsc/3.4+openmpi-1.6 (default), petsc/3.6+intelmpi-5.0+intel-15.0 | petsc/3.7.4+openmpi-2.0.1 (default) | data analysis for scientific applications of partial differential equation models |
pyFFTW | pyfftw/0.9.2+python-2.7-2014q3 (default) | A pythonic wrapper around FFTW, the FFT library, presenting a unified interface for all the supported transforms. | |
SemiDefinite Programming Algorithm (SDPA) | sdpa/7.3.8+intel-12.1 (default) | optimization algorithm | |
SemiDefinite Programming Algorithm Double-Double (SDPA-DD) | sdpa-dd/7.1.2+intel-12.1 (default) | semidefinite programming with pseudo double-double precision arithmetic | |
SemiDefinite Programming Algorithm (SDPA-GMP) | sdpa-gmp/7.1.2+intel-12.1 (default) | semidefinite programming with arbitrary precision arithmetic | |
SemiDefinite Programming Algorithm Quad-Double (SDPA-QD) | sdpa-qd/7.1.2+intel-12.1 (default) | semidefinite programming with pseudo quad-double precision arithmetic |
performance analysis¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
HPCToolkit | hpctoolkit/5.3 (default), hpctoolkit/5.3+intel-12.1, hpctoolkit/5.3+intelmpi-4.0, hpctoolkit/5.3+openmpi-1.6 | measurement and analysis of program performance on high-performance computers | |
hpcviewer | hpcviewer/5.3 (default) | hpcviewer/5.4 (default) | graphical user interface that interactively presents performance data from hpctoolkit |
PAPI | papi/5.1, papi/5.3 (default) | papi/5.5 (default) | standard API for accessing hardware performance counters |
Valgrind | valgrind/3.7, valgrind/3.8, valgrind/3.9 (default) | valgrind/3.12+gcc-6.2 (default) | debugging and profiling tools, most commonly used to locate memory errors, including leaks, but also can be used to debug threaded codes and profile cache efficiency. |
physics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
gpaw | gpaw/0.10+intelmpi-5.0+intel-15.0 (default) | Density-functional theory python code | |
harminv | harminv/1.4 (default) | A free program (and accompanying library) to solve the problem of harmonic inversion. | |
meep | meep/1.3 (default), meep/1.3+intelmpi-5.0+intel-15.0 | A finite-difference time-domain (FDTD) simulation software package to model electromagnetic systems. | |
multinest | multinest/3.10 (default) | MultiNest is a Bayesian inference tool which calculates the evidence and explores the parameter space which may contain multiple posterior modes and pronounced (curving) degeneracies in moderately high dimensions. | |
openmx | openmx/3.7 (default) | A software package for nano-scale material simulations based on density functional theories, norm-conserving pseudopotentials, and pseudo-atomic localized basis functions. | |
xc | xc/2.2+intel-15.0 (default) | C library for density-functional theory | |
xcrysden | xcrysden/1.5 (default) | xcrysden/1.5 (default) | XCrySDen is a crystalline and molecular structure visualization program |
population¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Migrate-n | migrate-n/3.6 (default) | estimation of population size and gene flow |
proteins¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
MM/PBSA method for GROMACS | g_mmpbsa/1.0.0 (default) | calculation of components of binding energy using MM-PBSA method | |
Gromacs | gromacs/4.5.5, gromacs/4.6+intel-12.1 (default), gromacs/4.6-cuda+intel-12.1, gromacs/5.0+intelmpi-5.0+intel-15.0, gromacs/5.0-cuda+intelmpi-5.0+intel-15.0 | molecular dynamics simulation | |
HOOMD-blue | hoomd/0.11 (default), hoomd/0.11.0, hoomd/1.0, hoomd/1.1, hoomd/1.1-double, hoomd/1.1-double+intelmpi-5.0+intel-15.0 | general-purpose particle simulation toolkit | |
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) | lammps/10Aug2015+intelmpi-5.0+intel-15.0, lammps/9Dec2014+intelmpi-5.0+intel-15.0, lammps/cuda-9Dec2014+intelmpi-5.0+intel-15.0, lammps/trunk (default) | molecular dynamics simulation | |
mpiBLAST | mpiblast/trunk (default) | improved implementation of NCBI BLAST, find homology in biological sequences | |
NAMD | namd/2.10+intelmpi-5.0+intel-15.0, namd/2.10-cuda+intelmpi-5.0+intel-15.0, namd/2.10b1, namd/2.9 (default), namd/2.9-cuda | namd/2.11+intelmpi-5.1+intel-16.0 (default) | parallel molecular dynamics code for biomolecular system simulation |
openbabel | openbabel/2.3 (default), openbabel/2.3.1 | toolbox for using chemical data | |
RAPSearch | rapsearch/2 (default) | Reduced Alphabet based Protein similarity Search |
simulation¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
abaqus | abaqus/6.14 (default) | engineering simulations | |
abinit | abinit/7.10 (default) | Allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis. | |
Amber | amber/12 (default), amber/14, amber/16, amber/16+cuda-8.0 | amber/16 (default) | molecular simulations |
comsol | comsol/52, comsol/52a (default) | physics simulations | |
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
gate | gate/7.1 (default) | Simulations of Preclinical and Clinical Scans in Emission Tomography, Transmission Tomography and Radiation Therapy | |
Geant4 | geant4/10.00 (default), geant4/10.01, geant4/10.02+gcc-4.8 | a toolkit for the simulation of particles through matter | |
Gromacs | gromacs/4.5.5, gromacs/4.6+intel-12.1 (default), gromacs/4.6-cuda+intel-12.1, gromacs/5.0+intelmpi-5.0+intel-15.0, gromacs/5.0-cuda+intelmpi-5.0+intel-15.0 | molecular dynamics simulation | |
HOOMD-blue | hoomd/0.11 (default), hoomd/0.11.0, hoomd/1.0, hoomd/1.1, hoomd/1.1-double, hoomd/1.1-double+intelmpi-5.0+intel-15.0 | general-purpose particle simulation toolkit | |
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) | lammps/10Aug2015+intelmpi-5.0+intel-15.0, lammps/9Dec2014+intelmpi-5.0+intel-15.0, lammps/cuda-9Dec2014+intelmpi-5.0+intel-15.0, lammps/trunk (default) | molecular dynamics simulation | |
libctl | libctl/3.2.2 (default) | A Guile-based library implementing flexible control files for scientific simulations. | |
meep | meep/1.3 (default), meep/1.3+intelmpi-5.0+intel-15.0 | A finite-difference time-domain (FDTD) simulation software package to model electromagnetic systems. | |
NAMD | namd/2.10+intelmpi-5.0+intel-15.0, namd/2.10-cuda+intelmpi-5.0+intel-15.0, namd/2.10b1, namd/2.9 (default), namd/2.9-cuda | namd/2.11+intelmpi-5.1+intel-16.0 (default) | parallel molecular dynamics code for biomolecular system simulation |
OpenMM | openmm/5.2, openmm/6.0 (default), openmm/6.1, openmm/6.2 | A toolkit for molecular simulation using high performance GPU code. | |
openmx | openmx/3.7 (default) | A software package for nano-scale material simulations based on density functional theories, norm-conserving pseudopotentials, and pseudo-atomic localized basis functions. | |
Parallel Ice Sheet Model (PISM) | pism/0.6 (default) | ice sheet model | |
PyNEST | pynest/2.6+python-2.7-2015q1 (default), pynest/2.6-mpi+python-2.7-2015q1 | A simulator for spiking neural network models that focuses on the dynamics, size and structure of neural systems rather than on the exact morphology of individual neurons. | |
siesta | siesta/3.2 (default), siesta/trunk-462 | SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids | |
wannier90 | wannier90/2.0 (default) | Maximally localized Wannier functions. |
statistics¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
R | R/2.15, R/2.15+intel-12.1, R/3.0, R/3.0+intel-12.1, R/3.1, R/3.1+intel-15.0, R/3.2 (default), R/3.2+intel-15.0 | R/2.15, R/3.0, R/3.2, R/3.3 (default), R/3.3+intel-16.0 | programming language/environment for statistical computation and graphics |
BEAGLE | beagle/trunk (default) | beagle/trunk (default) | library for core calculations with phylogenetics packages |
graph-tool | graph-tool/2.2 (default) | A Python module for manipulating and analyzing graphs and networks | |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
jags | jags/4.0.1 (default), jags/4.2.0 | jags/4.2.0 (default) | JAGS is Just Another Gibbs Sampler. It is a program for the statistical analysis of Bayesian hierarchical models by Markov Chain Monte Carlo. |
MAchine Learning for LanguagE Toolkit (MALLET) | mallet/2.0 (default), mallet/2.0.8RC3 | machine learning applications to text | |
multinest | multinest/3.10 (default) | MultiNest is a Bayesian inference tool which calculates the evidence and explores the parameter space which may contain multiple posterior modes and pronounced (curving) degeneracies in moderately high dimensions. | |
PRISM | prism/4.0 (default) | probabilistic model checker | |
Randomized Axelerated Maximum Likelihood (RAxML) | raxml/trunk (default) | sequential and parallel Maximum Likelihood based inference of large phylogenetic trees | |
sas | sas/9.4 (default) | business intelligence software | |
Stata | stata/13 (default), stata/14 | stata/14 (default) | data analysis and statistical software |
system¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Mobile shell (Mosh) | mosh/1.2 (default) | mosh/1.2.6 (default) | connect to server from client to run remote terminal (like SSH) |
proot | proot/current (default) | proot/current (default) | user-space implementation of chroot, mount –bind, and binfmt_misc |
Tree | tree/1.6.0 (default) | recursive directory listing command | |
YAZ | yaz/5.4 (default) | Z39.50/SRW/SRU client and server development toolkit |
testing¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
check | check/0.10.0 (default) | Check is a unit testing framework for C |
text¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
pandoc | pandoc/1.13+ghc-7.8 (default) | Document converter supporting many markup formats | |
poppler | poppler/0.31.0 (default) | pdf library and utilities | |
tkdiff | tkdiff/4.2 (default) | graphical interface for diff | |
xpdf | xpdf/3.04 (default) | pdf viewer and utilities |
text editor¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
GNU Emacs | emacs/23.4, emacs/24 (default) | emacs/25 (default) | GNU Emacs text editor |
GNOME text editor (gedit) | gedit/2.28 (default) | text editor | |
vim | vim/7.3, vim/7.4 (default) | vim/7.4 (default) | advanced text editor |
typesetting¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
TeX Live | texlive/2012, texlive/2016 (default) | texlive/2016 (default) | TeX typesetting system |
version control¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
git | git/2.7 (default) | git/2.10 (default) | distributed version control system |
git-lfs | git-lfs/1.3 (default) | git-lfs/1.4 (default) | an open source git extension for versioning large files |
Mercurial | mercurial/2.5 (default), mercurial/2.8, mercurial/3.1 | mercurial/4.0 (default) | distributed version control system |
Subversion | subversion/1.6, subversion/1.7, subversion/1.8 (default), subversion/keyring | subversion/1.9.4 (default) | version control system |
video¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Blender | blender/2.68 (default) | blender/2.78a (default) | 3D animation suite |
FFmpeg | ffmpeg/0.11, ffmpeg/1.1 (default), ffmpeg/2.1, ffmpeg/3.0 | ffmpeg/3.2 (default) | record, convert, and stream audio and video |
MPlayer | mplayer/stable, mplayer/trunk (default) | mplayer/1.3.0 (default) | media player |
vpx | vpx/1.6 (default) | ||
x264 | x264/stable (default) | x264/0.148 (default) | application for encoding video streams into H.264/MPEG-4 AVC |
x265 | x265/2.1 (default) | x265 |
video/audio¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
Bino | bino/1.4 (default) | bino/1.4 (default) | 3D video player |
FFmpeg | ffmpeg/0.11, ffmpeg/1.1 (default), ffmpeg/2.1, ffmpeg/3.0 | ffmpeg/3.2 (default) | record, convert, and stream audio and video |
libav | libav/11.4 (default) | A package of libraries for dealing with a variety of multimedia formats. | |
mpg123 | mpg123/1.13, mpg123/1.14 (default) | mpg123/1.13 (default), mpg123/1.14 | MPEG audio player and decoder |
MPlayer | mplayer/stable, mplayer/trunk (default) | mplayer/1.3.0 (default) | media player |
x264 | x264/stable (default) | x264/0.148 (default) | application for encoding video streams into H.264/MPEG-4 AVC |
visualization¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
ROOT | ROOT/5.26, ROOT/5.34 (default), ROOT/5.34+python-2.7-2014q1, ROOT/6.06 | ROOT/5.34.14, ROOT/6.06.08 (default) | program library for particle physics data analysis |
MapRes | ResMap/1.1.4 (default) | ResMap/1.1.4 (default) | ResMap (Resolution Map) is a Python (NumPy/SciPy) application with a Tkinter GUI and a command-line interface. It is a software package for computing the local resolution of 3D density maps studied in structural biology, primarily electron cryo-microscopy (cryoEM). |
Blender | blender/2.68 (default) | blender/2.78a (default) | 3D animation suite |
CP2K | cp2k/2.4 (default), cp2k/svn | simulations of solid state, liquid, molecular, and biological systems | |
Cytoscape Web | cytoscape/2.8 (default) | network visualization library | |
Diderot | diderot/trunk, diderot/vis12 (default) | parallel domain-specific language for image analysis and visualization | |
ferret | ferret/6.9 (default) | ferret/6.9 (default) | An interactive computer visualization and analysis environment designed to meet the needs of oceanographers and meteorologists analyzing large and complex gridded data set |
FreeSurfer | freesurfer/5.3 (default) | analysis and visualization of structural and functional brain imaging data | |
Gephi | gephi/0.8 (default) | gephi/0.9 (default) | visualization and exploration of network data |
gnuplot | gnuplot/4.4, gnuplot/4.6 (default) | gnuplot/5.0 (default) | portable command-line driven graphing utility |
Grace | grace/5.1 (default) | grace/5.1 (default) | plotting 2D data |
GrADS | grads/1.8, grads/1.9, grads/2.0 (default) | manipulation and visualization of earth science data | |
graph-tool | graph-tool/2.2 (default) | A Python module for manipulating and analyzing graphs and networks | |
Graph Visualization Software (Graphviz) | graphviz/2.28 (default) | graphviz/2.28, graphviz/2.38 (default) | graph visualization software |
grass | grass/6.4 (default) | geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization | |
Hierarchical Equal Area isoLatitude Pixelization of a sphere (HEALPix) | healpix/2.20, healpix/3.11 (default), healpix/3.20, healpix/3.20+intel-15.0 | healpix/3.31 (default) | pixelization of subdivision of spherical surface in which each pixel covers the same surface area as every other pixel |
IDL | idl/8.2 (default) | idl/8.2 (default) | scientific programming language for visualization |
Ionization FRont Interactive Tool (IFrIT) | ifrit/3.4 (default) | 3D visualization software focused on cosmological simulations | |
itk | itk/4.10 (default) | cross-platform, open-source application development framework widely used for the development of image segmentation and image registration | |
Java 3D (j3d) | j3d/1.5 (default) | 3D API for Java | |
NCAR Command Language (NCL) | ncl_ncarg/6.1 (default), ncl_ncarg/6.2, ncl_ncarg/6.3 | interpreted language designed for data analysis and visualization | |
Ncview | ncview/2.1.1 (default) | visual browser netCDF format files | |
GNU Octave | octave/3.6 (default) | octave/4.0 (default) | high-level language for numerical computations |
OpenCV | opencv/2.4 (default), opencv/2.4+python-2.7-2015q1, opencv/3.1 | opencv/2.4 (default) | computer vision and machine learning software library |
panoply | panoply/4 (default) | Panoply is a cross-platform application that plots geo-gridded and other arrays from netCDF, HDF, GRIB, and other datasets. | |
ParaView | paraview/3.14 (default) | paraview/4.4 (default) | data analysis and scientific visualization |
pgplot | pgplot/5.2 (default) | pgplot/5.2 (default) | Fortran- or C-callable, device-independent graphics package for making simple scientific graphs |
Parallel Ice Sheet Model (PISM) | pism/0.6 (default) | ice sheet model | |
PyMol | pymol/svn (default) | molecular visualization | |
Teem | teem/trunk (default) | teem/trunk (default) | scientific raster data visualization |
VisIt | visit/2.6 (default), visit/all | data visualization, animation, and analysis | |
vmd | vmd/1.9, vmd/1.9.1, vmd/1.9.2 (default) | vmd/1.9.2 (default) | molecular visualization program |
Visualization Toolkit (VTK) | vtk/5.10, vtk/5.10+python-2.7-2014q1, vtk/5.8 (default) | vtk/7.0 (default) | 3D computer graphics, image processing, and visualization |
xcrysden | xcrysden/1.5 (default) | xcrysden/1.5 (default) | XCrySDen is a crystalline and molecular structure visualization program |
yt | yt/3.0 (default), yt/3.1 | visualization and analysis tool for cosmological data |
workflow¶
Application | Midway1 | Midway2 | Description |
---|---|---|---|
CCTools | cctools/3.6 (default) | collection of software for harnessing large scale distributed systems | |
Connect Client | connect-client/0.5.2 (default) | Set of programs and files for linking a campus research computing cluster to a CI Connect instance which uses HTCondor to submit jobs to the Open Science Grid | |
GNU Parallel | parallel/latest (default) | parallel/latest (default) | shell tool for executing jobs in parallel |
Swift | swift/0.94.1, swift/0.95 (default), swift/0.96, swift/testing | workflow scripting language |