The table below shows an overview of the application software that is
available on each of the Notur systems. Select a discipline from the menu
on the left to restrict the list of software to relevant entries.
The presence of application software for a specific system as shown in
the table usually means that the software is centrally installed and
available for all users of the system. However, certain restrictions may
apply for software that has specific conditions for usage in the license
agreement. The software can typically be used for academic non-commercial
purposes. For other usage, in particular commercial usage, make
sure that you are informed about the details of the software license.
The table below is automatically generated from the software modules that
are available on the systems. Some of the names have architecture-specific
names, while others have not. If a particular software package does not
have an entry for a system, it could be that a) the software is
not (centrally) installed on that system, or b) running the software on
that system is discouraged, or c) it is not allowed to execute the software
on that system.
The table represents the current situation fairly accurately, but
may contain incomplete or out-of-date entries. Application
software installed by users is not included.
Please do not install your own copies of software that is already
(centrally) installed. In case you need access to a different version
of the software, please contact the support
staff for the system in question.
Selecting a package name in the left column of the table expands the
entry with a short description. A green icon links to the home page of
the software. Any pages describing a given installation are linked from
the corresponding available version.
| | | abel | gardar | hexagon | stallo | vilje |
|---|
| 454apps |  | 2.7 2.8 2.6 2.5.3 2.3 2.0.01.02 1.1.03.24
| | | | |
|
| abaqus |  | | | | | 6.11-2
|
| A suite of software applications for finite element analysis. |
| abyss | | 1.3.4
| | 1.2.3 1.2.1
| | |
|
| ACML |  | | | 4.4.0 4.3.0 4.2.0
| | |
| AMD Core Math Library |
| ADF |  | 2012.01b 2010.02b
| | | Development.snapshots 2010.snapshot 2010.02b 2010.01.snapshots 2010.01 2009.01.snapshots 2009.01 2008.01 2007.01
| 2013.01a 2013.01 2012.01a
|
| ADF is the Amsterdam Density Functional program system for electronic structure calculations. |
| alglib |  | | | | 3.0
| |
| ALGLIB is a cross-platform numerical analysis and data processing library. |
| AMBER |  | 12
| | | 9.0.35 11 10
| 12
|
| A package of molecular simulation programs. |
| AmpliconNoise |  | 1.25
| | | | |
| AmpliconNoise is a collection of programs for the removal of noise from 454 sequenced PCR amplicons. |
| ANTLR |  | | | 2.7.7
| 2.7.7
| 2.7.7
|
| ANTLR, ANother Tool for Language Recognition, is a language tool that provides a framework for constructing recognizers, interpreters, compilers, and translators from grammatical descriptions containing actions in a variety of target languages. |
| ANTS |  | | | | 1.9.1
| |
|
| apprentice2 | | | | 5.1.3 5.1.2 5.0.1
| | |
|
| arwpost | | | | 2.2
| | |
|
| ase |  | | 3.6.0
| | 3.4.1_py2.5 3.4.1
| |
| The Atomic Simulation Environment (ASE) is the common part of the simulation tools developed at CAMd. ASE provides Python modules for manipulating atoms, analyzing simulations, visualization etc. |
| asreml |  | 2.00ah
| | | | |
| ASReml is a statistical software package for fitting linear mixed models using restricted maximum likelihood, a technique commonly used in plant and animal breeding and quantitative genetics as well as other fields. It is notable for its ability to fit very large and complex data sets efficiently, due to its use of the average information algorithm and sparse matrix methods. |
| ATLAS |  | | | | 3.8.2
| |
| Automatically Tuned Linear Algebra Software |
| atp | | | | 1.2.1 1.2.0 1.1.3
| | |
|
| AUTODOCK | | 4.2.3
| | | | |
| Automated docking of flexible ligands to macromolecules. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AUTODOCK |
| autodock_vina | | 1.1.2
| | | | |
|
| bcompare | | | | 3.1.6
| | |
|
| beagle | | 1.0
| | | | |
|
| beast |  | 1.7.2 1.7.4
| | | | |
|
| berkeley-upc | | | | 2.12.1
| | |
|
| best | | 2.3.1
| | | | |
|
| bioscope |  | | | | 1.2.1-5
| |
|
| bison | | | | 2.4
| | 2.6.5 2.3
|
|
| blacs |  | | | | 1.1.0
| |
| Basic Linear Algebra Communication Subprograms. |
| BLAST |  | 2.2.26
| | | blast-2.2.19 blast-2.2.18
| |
| Searches a protein or DNA sequence data bank. |
| blast+ | | 2.2.26
| | | | |
|
| blcr |  | | | 0.7.3
| | |
|
| bonnie++ | | | | 1.03e
| | |
|
| boost |  | 1.53.0
| 1.48.0
| | 1.46.1 1.42.0
| 1.47.0 1.48.0
|
|
| bowtie2 | | 2.0.0-beta7
| | | | |
|
| bsponmpi | | | | 0.3
| | |
|
| CaGe |  | | | | 1.0
| |
|
| camino |  | | | | 2.880
| |
|
| cdat | | | | 5.2
| | |
|
| cdbfasta | | 2003.09.06
| | | | |
|
| cdo | | | | 1.4.1 1.3.1 1.2.1
| | 1.5.6.1
|
|
| cd_hit | | 20070131
| | | | |
|
| cegma | | 2.4.010312
| | | | |
|
| cfitsio |  | 3.300
| | 3.25-gnu
| | |
|
| cfour |  | | | | rc1.0_mpi rc1.0
| v1
|
| Coupled-Cluster techniques for Computational Chemistry (CFOUR) is a program package for performing high-level quantum chemical calculations on atoms and molecules. The major strength of the program suite is its rather sophisticated arsenal of high-level ab initio methods for the calculation of atomic and molecular properties. Virtually all approaches based on Møller-Plesset (MP) perturbation theory and the coupled-cluster approximation (CC) are available; most of these have complementary analytic derivative approaches within the package as well. |
| cfx | | | | | | 14.0.0 13.0.0
|
|
| chapel |  | | | 1.3.0 1.2.1 1.1.1
| 1.2.0
| 1.6.0
|
| Chapel is a new parallel programming language being developed by Cray Inc. |
| clearcut | | 1.0.9
| | | | |
|
| clonalorigin |  | 41
| | | | |
|
| ClustalW |  | 2.0.12
| | | 2.0.10
| |
| Clustal W is a general purpose multiple sequence alignment program for DNA or proteins.It produces biologically meaningful multiple sequence alignments of divergent sequences. It calculates the best match for the selected sequences, and lines them up so that the identities, similarities and differences can be seen. |
| ClustalW-MPI |  | | | | 0.13
| |
| A Parallel Implementation of ClustalW, based on MPI. See also ClustalW. |
| cmake |  | 2.8.9
| 2.8.7
| 2.6.4 2.4.8
| 2.6.2 2.8.2
| 2.8.8 2.8.6
|
|
| Coin3D |  | | | | 3.0.0
| |
|
| COMSOL |  | | | | 4.2 4.1 3.5 3.4
| 4.2a
|
| Multiphysics simulation software. |
| copygb | | | | 2008-12
| | |
|
| coreutils |  | | | 0.0
| | |
|
| cp2k |  | 2.3
| | | 2.0
| 2.3
|
| CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. |
| CPLEX |  | | | | 121
| |
| High-performance software for mathematical programming and optimization. |
| CPMD |  | | | 3.13.2
| | 3.15.3
|
| The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. |
| CrayPat | | | | 5.1.3 5.1.2 5.0.1
| | |
| Cray Performance Analysis Tool. Evaluates program execution on Cray systems. |
| cuda |  | | | | 3.2.16
| |
| CUDA is NVIDIA\'s parallel computing architecture. |
| cunit | | | | 2.1-0
| | |
|
| curl | | | | 7.19.5
| | 7.19.7
|
|
| dacapo |  | | | | 07022011svn
| 2.7.16
|
| DACAPO is an ab initio molecular dynamics code, based on ultra-soft pseudopotentials. |
| Dalton |  | | | | r9829 r9029_largemolecules r9029 r10173 mcscf-j 2.0
| |
| Dalton QCP (Quantum Chemistry Program) represents a powerful quantum chemistry program for the calculation of molecular properties. |
| ddt | | | | | | 3.1
|
|
| Denoiser | | 0.91
| | | | |
|
| Dirac |  | | | | r14231 r13928 r13871 r13692 10
| |
| Program for atomic and molecular Direct Iterative Relativistic All-electronic Calculations. |
| discus | | 111126 111126.larger_limits
| | | | |
|
| dl_poly | | | | | | 4.04
|
|
| dmd | | | | | | 2.060
|
|
| ECLIPSE |  | 2011.2
| | | | |
| Petroleum reservoir simulation. |
| eigen |  | | 3.0.3
| | 3.0.0 2.0.15
| |
|
| elph |  | | | | 1.0.1
| |
|
| EMBOSS | | 6.5.7
| | | | |
| Package for seqence analysis. Tools for molecular biology |
| espresso | | 5.0.1
| | | | 4.3.2
|
|
| esysparticle | | 2.1
| | | | |
|
| expat |  | 2.1.0
| | 2.0.1
| | 2.0.1
|
|
| Fasta |  | | | | 36.3.4 35.4.7
| |
| Searches a protein or DNA sequence data bank. |
| fasttree | | 2.1.5
| | | | |
|
| ferret | | | | 6.6.1-dynamic 6.2-dynamic
| | |
|
| ffmpeg |  | | | | | 0.10
|
|
| FFTW |  | | 3.3 2.1.5
| 3.2.2.1 3.2.2 3.2.1 2.1.5.2
| 2.1.5 3.1.2 3.2.2
| 3.3.2 3.3 2.1.5
|
| FFTW is a C subroutine library for computing the Discrete Fourier Transform (DFT) in one or more dimensions, of both real and complex data, and of arbitrary input size. |
| flex |  | | | | | 2.5.35
|
|
| FLUENT |  | | | | | 14.0.0 13.0.0
|
| Computational Fluid Dynamics software. |
| freesurfer |  | 5.1.0
| | | 5.1.0 4.2.0 4.0.4
| |
| FreeSurfer is a set of automated tools for reconstruction of the brain’s cortical surface from structural MRI data, and overlay of functional MRI data onto the reconstructed surface. |
| FSL |  | 4.1.9 4.1.7
| | | 4.1.6 4.1.4 4.1.2 4.0.4_64 4.0.2
| |
| FSL is a comprehensive library of analysis tools for FMRI, MRI and DTI brain imaging data. |
| g03 |  | | | | e01
| |
| Gaussian 03 |
| g09 |  | | | | b01
| |
| Gaussian 09. |
| g95 |  | | | 0.93-32b 0.93
| | |
| A free, open source Fortran 95/2003 compiler and runtime libraries. |
| gamessplus | | 2010.2
| | | | |
|
| garli | | 2.0
| | | | |
|
| gasnet | | | | | | 1.20.0
|
|
| gaussian | | g09c01 g09b01 g03d02
| | | | |
|
| gcc | | | 4.6.2
| 4.6.0 4.5.3 4.5.2 4.5.1 4.5.0 4.4.4 4.4.3 4.3.3 4.2.4 4.1.2 3.3.3
| | 4.6.2 4.7.1 4.3
|
|
| gdal | | 1.9.1
| | | | |
|
| gdb | | | | 7.2
| | 7.3
|
|
| geneid | | 1.4.4
| | | | |
|
| geodict | | | | | 2010R1
| |
|
| geos | | 3.3.5
| | 3.3.0
| | |
|
| geotiff | | | | 1.2.5
| | |
|
| gfs | | | | | 080130
| |
|
| ggobi | | | | | 2.1.8
| |
|
| ghc | | 7.4.2
| | | | |
|
| git | | | | 1.6.3.1
| 1.7.1
| 1.6.0.2
|
|
| glimmer |  | | | | 3.02
| |
| Glimmer is a system for finding genes in microbial DNA, especially the genomes of bacteria, archaea, and viruses. Glimmer (Gene Locator and Interpolated Markov ModelER) uses interpolated Markov models (IMMs) to identify the coding regions and distinguish them from noncoding DNA. |
| gmt | | | | | 4.5.6
| |
|
| gnuplot |  | 4.6.0
| | 4.4.2 4.2.5
| | 4.2.3
|
| Gnuplot is a portable command-line driven graphing utility. |
| gold | | | 2.2.0.4
| 2.1.10.0
| 2.1.5.0
| |
|
| google-perftools | | | | | 1.6.0
| |
|
| google-test | | | | | 1.5.0_gcc 1.5.0
| |
|
| GotoBLAS |  | | | | 1.22
| |
| Fast implementation of the Basic Linear Algebra Subroutines. |
| gpaw |  | | | | 0.7.2
| |
| Density functional theory. GPAW is an efficient program package for electronic structure calculations. It is based on the density-functional theory implemented within the projector augmented wave (PAW) method using uniform real-space grids. GPAW can be used for systems containing up to hundres of atoms and thousands of electrons. |
| GrADS |  | | | 2.0.a9.oga.1 2.0.a8 1.9b4-gnu
| | |
| The Grid Analysis and Display System (GrADS) is an interactive desktop tool that is used for easy access, manipulation, and visualization of earth science data. The format of the data may be either binary, GRIB, NetCDF, or HDF-SDS (Scientific Data Sets). |
| graphviz | | 2.28.0
| | | | |
|
| grib | | | | | | 1.9.16
|
|
| grib-api | | | | 1.7.0
| | |
|
| GROMACS |  | | 4.5.5
| | 4.0.5 3.3.3
| 4.5.5
|
| Package for molecular dynamics. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. GROMACS |
| GSL |  | 1.15
| | 1.11
| 1.14 1.12
| 1.15
|
| The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. |
| gtest | | | | | 1.5.0_gcc 1.5.0
| |
|
| GTS | | | | | 071220 0.7.6
| |
| The GNU Triangulated Surface Library. http://gts.sourceforge.net/ |
| h4toh5 | | | | 2.1
| | |
|
| HDF5 |  | 1.8.9_pgi 1.8.9_intel 1.8.9
| 1.8.8
| 1.8.5.0 1.8.4.1 1.8.3.1 1.6.7a
| | 1.8.9 1.8.7 1.8.10-p1
|
| HDF5 is a data model, library, and file format for storing and managing data. |
| hdf5-parallel | | | | 1.8.5.0 1.8.4.1 1.8.3.1 1.6.7a
| | |
|
| HMMER |  | 3.0
| | | hmmer-3.0rc2
| |
| Profile hidden Markov models. HMMER is an implementation of profile HMM methods for sensitive database searches using multiple sequence alignments as queries. Basically, you give HMMER a multiple sequence alignment as input; it builds a statistical model called a \"hidden Markov model\" which you can then use as a query into a sequence database to find (and/or align) additional homologues of the sequence family. HMMER |
| hpctoolkit | | | | | 1520
| |
|
| hpczip | | 7.1
| | | | |
|
| hpn-ssh | | | | | 5.1p1-hpn13v5
| |
| High Performance SSH/SCP |
| hpnssh | | | | 5.8p1
| | |
|
| hwloc | | | | | | 1.4.2
|
|
| hypre | | | | | | 2.8.0b
|
|
| icu | | 49.1.2
| | | | |
|
| idl | | | | | 8.0 6.4
| |
|
| imagemagick | | 6.7.9-0
| | 6.5.0-10
| | |
|
| infernal | | 1.0.2
| | | | |
|
| inspector | | | | | | 13.1
|
|
| intel | | 2013.2 2011.10 2013.0
| 13.1 12.1.0
| 12.0.4.191 12.0.3.174 12.0.2.137 12.0.0.084 11.1.073
| | |
|
| intel-mkl | | | 10.3.6
| | 2011.4.191 10.2.0.013 10.1.0.015
| |
|
| intel-mpi | | | | | 4.0.1.007
| |
|
| intel-tools | | | | | XE2011
| |
|
| Intel compilers | | | | | 12.0.4 11.1_ia32 11.1.072 11.1 11.0 10.1 10.0
| 13.0.1 12.0.5.220 11.1.073
|
| Intel® Compilers help Linux* software run at top speeds. Using Intel Compilers for Linux, developers can write high-performance software for desktops and servers. These compilers are compatible with existing development environments on Linux, so it's easy to start using them. Intel compilers |
| intelmpi.gnu | | 4.0u3
| | | | |
|
| intelmpi.intel | | 4.0u3
| | | | |
|
| iobuf | | | | 2.0.2 2.0.1
| | |
|
| ior | | | | 2.10.2
| | |
|
| iozone | | | | 3.323
| | |
|
| iperf | | | | 2.0.4
| | 2.0.5
|
|
| ipm | | | | 0.982
| 0.982
| |
|
| itk | | | | | 3.8.0
| |
|
| jags | | 3.3.0
| | | | |
|
| jasper | | 1.900.1
| | 1.900.1
| | |
|
| java | | | | jdk1.6.0_24
| 1.6.0_10
| 1.7.0_01
|
|
| lamarc | | 2.1.8
| | | | |
|
| lammps | | | | | | 130111 121116 120704 120529 120202 111027
|
|
| Landmark | | | | | LSM5000.0.3.1
| |
|
| libcsoap | | | | 1.1.0-16
| | |
|
| libdap | | | | 3.9.3 3.8.2
| | |
|
| libfast | | | | 1.0.9 1.0.8 1.0.7
| | |
|
| libnc-dap | | | | 3.7.3
| | |
|
| libtool | | | | | 2.2.6a
| |
|
| libxml2 | | | | 2.6.32
| | |
|
| lsm | | | | | 1.0.beta1
| |
|
| m4 | | | | 1.4.16
| | 1.4.16 1.4.12
|
|
| mafft | | 6.903
| | | | |
| MAFFT (Multiple Alignment using Fast Fourier Transform) is a high speed multiple sequence alignment program. |
| materialsstudio | | 6.0 5.5
| | | | |
|
| Matlab | | R2012a
| | 2009a 2008b 2007b
| R2010b R2009a 2007b
| |
| MATLAB is a language for technical computing that combines numeric computation, advanced graphics and visualization, and a high-level programming language. It is the natural environment for analysis, algorithm prototyping and application development. MatLab |
| matlab-mcr | | R2012b R2012a
| | | | |
|
| maxwell | | | | | | 14.0
|
|
| mcmcphase | | 2.0
| | | | |
|
| mdynamix | | | | | | 5.2.4
|
|
| MEME | | | | 4.4.0-intel 4.4.0-gnu
| | |
|
| mercurial | | | | | | 2.0
|
|
| mesalib | | | | 7.4.4
| | |
|
| mga | | | | | 1.0
| |
|
| mgltools | | 1.5.4
| | | | |
|
| microbiomeutil | | 20110519
| | | | |
|
| MIGRATE | | 3.3.2
| | | | |
|
| mira | | 3.4.0
| | | | |
|
| mkl | | | | | 2011.4.191 10.1.0.015 10.2.0.013
| 12.0.5.220 11.1.073
|
|
| mmtsb |  | | | | 1.0
| |
| Multiscale Modeling Tools for Structural Biology. |
| moab | | | | 6.0.2-s1407
| | |
|
| Modules | | | | 3.1.6.6
| | |
| Provides dynamic modification of a user's environment via modulefiles. |
| molcas |  | | | | 7.4
| |
| MOLCAS is an ab initio computational chemistry program, developed at Lund University in collaboration with others. Focus in the program is placed on methods for calculating general electronic structures in molecular systems in both ground and excited states. MOLCAS is, in particular, designed to study the potential surfaces of excited states. |
| Molden |  | 5.0.4
| 5.0.4
| | 4.9 4.8 4.6
| |
| Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac, it also supports a number of other programs via the Molden Format. |
| molpro |  | 2012.1.p0
| | | | |
| Molpro quantum chemistry package. |
| mothur | | 1.26.0
| | | | |
|
| mpe2 | | | | 1.1.1
| | |
|
| mpiBLAST | | | | | 1.5.0-pio
| 1.6.0
|
| Searches a protein or DNA sequence data bank. BLAST |
| Mpiexec | | | | | 0.83 0.82
| |
| Mpiexec is a replacement program for the script mpirun, which is part of the mpich package. It is used to initialize a parallel job from within a PBS batch or interactive environment.
Mpiexec |
| mpt | | | | | | 2.06 2.04 2.05
|
|
| MrBayes | | 3.2.1
| | | | |
| Program for the Bayesian inference of phylogeny. MrBayes |
| mrnet | | | | 3.0.0 2.2.0.1 2.0.1.1
| | |
|
| mumps |  | | | | 4.9.2
| 4.10.0
|
| MUMPS: a parallel sparse direct solver. |
| muscle | | 3.8.31
| | | | |
|
| mvapich2 | | | | | 1.2p1
| |
|
| NAMD |  | 2.9
| 2.9.0
| 2.8b1 2.8
| 2.7b1 2.6-TCP 2.6
| 2.9
|
| NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
|
| ncl | | 6.1.0 2.1.18
| | | | |
|
| ncl_ncarg | | | | 5.2.0-login 5.2.0 5.1.1-login 5.1.1
| | |
|
| NCO | | | | 4.0.7-login 4.0.5 4.0.0 3.9.6
| 4.0.5
| 4.1.0
|
| The netCDF Operators, or NCO, are a suite of programs known as operators. The operators take netCDF files as input, then perform a set of operations (e.g., deriving new data, averaging, hyperslabbing, or metadata manipulation) and produce a netCDF file as output.NCO |
| ncview | | 2.1.2
| | 2.0beta4 1.93g
| | |
| Ncview is a visual browser for netCDF format files.ncview |
| nedit | | | | 5.5
| | |
|
| NetCDF | | 4.2.1.1
| 4.1.3
| 4.1.1.0 4.0.1.3 4.0.1.1 3.6.2
| 4.1.1 3.6.2
| 4.1.3 4.2.1.1 3.6.2
|
| NetCDF (network Common Data Form) is an interface for array-oriented data access and a library that provides an implementation of the interface. The netCDF library also defines a machine-independent format for representing scientific data.NetCDF |
| netcdf-hdf5parallel | | | | 4.1.1.0 4.0.1.3 4.0.1.1
| | |
|
| netcdf.gnu | | 4.2.1.1
| | | | |
|
| netcdf.intel | | 4.2.1.1
| | | | |
|
| netcdf.pgi | | 4.2.1.1
| | | | |
|
| Netlib | | | | | 1.8.0
| |
|
| newbler |  | 2.8 2.7 2.6 2.5.3 2.3 2.0.01.02 1.1.03.24
| | | | |
| Newbler is a software package for de novo DNA sequence assembly. It is designed specifically for assembling sequence data generated by the 454 GS-series of pyrosequencing platforms sold by 454 Life Sciences, a Roche Diagnostics company. |
| nltk | | 2.0.1
| | | | |
|
| NWchem |  | | | 6.0-python 6.0-dynamic 5.1.1
| | 6.1.1
|
| NWchem is a computational chemistry package which provides many methods to compute the properties of molecular and periodic systems using standard quantum mechanical descriptions of the electronic wavefunction or density. |
| ocaml | | 4.00.0
| | | | |
|
| Octave | | 3.6.3
| | | | |
| GNU Octave is a high-level language, primarily intended for numerical computations. |
| octopus | | | | | 3.2.0
| |
|
| open64 | | 5.0
| | | | |
|
| openbabel |  | | | | 2.2.0
| |
| Open Babel: The Open Source Chemistry Toolbox. |
| openfoam |  | | | 1.7.1-dso 1.7.1 1.6 1.5
| 1.7.1 1.6.100222 1.6.091030 1.6
| 2.2.0 2.1.1 1.7.1
|
| The open source CFD toolbox. |
| openjpeg | | | | | | 1.5.0
|
|
| OpenMPI | | | 1.6.4 1.6.3 1.4.4-gnu 1.4.4
| | 1.4 1.3.3_gfortran44 1.3.3_gfortran 1.3.3_10.1 1.3.3 1.3.2_nodso 1.3.2 1.2.8 1.2.4
| |
| Open MPI is a project combining technologies and resources from several other projects (FT-MPI, LA-MPI, LAM/MPI, and PACX-MPI) in order to build the best MPI library available. A completely new MPI-2 compliant implementation.OpenMPI |
| openmpi.gnu | | 1.6.3 1.6.4 1.6.1
| | | | |
|
| openmpi.gnu-ilp64 | | 1.6.4
| | | | |
|
| openmpi.intel | | 1.6.4 1.6.3 1.6.1
| | | | |
|
| openmpi.open64 | | 1.6.4 1.6.3 1.6.1
| | | | |
|
| openmpi.pgi | | 1.6.3 1.6.4 1.6.1
| | | | |
|
| openspeedshop | | | | | | 2.0.2-u6 2.0.1
|
|
| openssl | | | | | | 0.9.8j
|
|
| orca |  | | | | 2.6.35
| |
| ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects. |
| p4vasp | | | | | 0.3.20
| |
| The p4vasp package is a set of tools for processing xml-formatted VASP output (i.e. vasprun.xml files). |
| paml | | 4.6
| | | | |
|
| papi | | | | 4.1.2
| | 5.1.0 5.0.1 4.4.0
|
|
| paraview |  | 3.98.0
| | 3.6.1
| | 3.14.1 3.12.0
|
| ParaView is an open-source, multi-platform data analysis and visualization application. |
| parmetis |  | | | | 3.1.1
| 4.0.2
|
| Parallel MeTiS. Parallel Graph Partitioning and Fill-reducing Matrix Ordering |
| parsinsert | | 1.04
| | | | |
|
| pathscale | | | | 3.2.99
| | |
|
| PAUP | | 4b10
| | | | |
| Tools for inferring and interpreting phylogenetic trees.PAUP |
| pbzip2 | | 1.1.6
| | | | |
|
| pcre | | 8.31
| | | | |
|
| Perl | | | | 5.8.8-dyn
| | 5.10.0
|
| Scripting language of choice for most CGI scripts. Perl |
| perlmodules | | 5.10_2 5.10_1
| | | | |
|
| PETSc | | | | 3.1.08 3.1.05 3.1.04 3.0.0.10 2.3.3a
| petsc-3.1-p2
| 3.3-p2z 3.3-p2s 3.3-p2d
|
| PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. It employs the MPI standard for all message-passing communication.PETSc |
| petsc-complex | | | | 3.1.08 3.1.05 3.1.04 3.0.0.10 2.3.3a
| | |
|
| pgi | | 13.2 11.10
| | 9.0.4 8.0.6 7.2.5 7.1.6 11.6.0 11.5.0 11.4.0 10.9.0 10.8.0 10.5.0
| | |
|
| Phylip | | | | | 3.68
| |
| PHYLIP is a free package of programs for inferring phylogenies. It is distributed as source code, documentation files, and a number of different types of executables. Phylip |
| phylobayes |  | 3.3d 3.3e
| | | | |
| PhyloBayes is a Bayesian Monte Carlo Markov Chain (MCMC) sampler for phylogenetic reconstruction using protein alignments. Compared to other phylogenetic MCMC samplers (e.g. MrBayes), the main distinguishing feature of PhyloBayes is the underlying probabilistic model, CAT. It is particularly well suited for large multigene alignments, such as those used in phylogenomics. |
| phyml |  | 3.0 20120412
| | | | |
| A simple, fast, and accurate algorithm to estimate large phylogenies by maximum likelihood. |
| pkgconfig | | | | 0.15.0
| | |
|
| plink | | 1.07
| | | | |
|
| pnetcdf | | | | 1.1.0
| | |
|
| pplacer | | 1.1
| | | | |
|
| proj | | | | 4.6.1
| | 4.7.0
|
|
| ProMax | | | | | 5000.0.3.0
| |
|
| protobuf | | 2.4.1
| | | | |
|
| prottest | | 3.2
| | | | |
|
| Python | | | 3.3.0 2.7.2
| 2.7.1-dso 2.6.5-dynamic-exper 2.6.2
| 2.7.1 2.6.2_local 2.6.2_intel 2.6.2 2.5.1
| 2.7.3 2.7.2 2.6.8
|
| Python, an interpreted, interactive, object-oriented, extensible programming language. Link to a tutorial. Python |
| python2 | | 2.7.3
| | | | |
|
| python3 | | 3.2.3
| | | | |
|
| qiime | | 1.5.0
| | | | |
|
| qt | | | | | 4.4.3
| |
|
| R |  | 2.15.2.shlib 2.15.2 2.15.1.shlib 2.15.1
| | 2.11.1
| 2.9.2 2.9.1 2.8.1 2.12.1 2.11.1 2.10.0
| 2.15.2
|
| R is a system for statistical computation and graphics. It consists of a language plus a run-time environment with graphics, a debugger, access to certain system functions, and the ability to run programs stored in script files. |
| RAxML |  | 7.3.1
| | | | |
| RAxML (Randomized Axelerated Maximum Likelihood) is a program for sequential and parallel Maximum
Likelihood based inference of large phylogenetic trees. It has originally been derived from fastDNAml which in turn was derived from Joe Felsentein’s dnaml which is part of the PHYLIP package. |
| rip4 | | | | 4.6
| | |
|
| rtax | | 0.981
| | | | |
|
| Ruby | | | | | | 1.8.7.p357
|
| Ruby is a dynamic, reflective, general purpose object-oriented programming language. |
| sac | | | | | 101.3b
| |
|
| samtools | | 0.1.18
| | | | |
|
| sas | | | | | 9.2
| |
|
| scalapack | | | | | 1.8.0
| |
|
| scalasca | | 1.4.2
| | | | 1.4.2 1.4.1
|
|
| schroedinger |  | | | | 2011.04.19 2010_06_15_mx 2010-10-19_mxd
| |
| Schrodinger Suite. |
| siesta | | 3.1
| | | | |
|
| smrtanalysis | | 1.3.3 1.3.0 1.4.0 1.3.1
| | | | |
|
| snoseekerngs | | 1.0
| | | | |
|
| soapdenovo2 | | r223
| | | | |
|
| sparsehash | | | | 1.8.1
| | |
|
| sprng | | 4.4
| | | | |
|
| starccm+ | | | | | | 8.02.008 7.04.011
|
|
| stat | | | | 1.1.3 1.1.2 1.1.1
| | |
|
| stata | | 12 11
| | | 10
| |
|
| structure | | 2.3.3
| | | 2.3.1
| |
|
| Subversion | | | | 1.6.2
| | 1.5.7
|
| Subversion version control system clients |
| svn | | | | | 1.6.17
| |
|
| swig | | | | | | 2.0.4
|
|
| syzygy | | 1.2.8
| | | | |
|
| taskfarm | | 1.0
| | | | |
|
| tau | | | | | | 2.22-p1
|
|
| tcl | | | | 8.5.8
| | 8.5.5
|
|
| threadspotter | | | | | | 2011.2
|
|
| tinker |  | | | | 5.1
| |
| The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. |
| tools | | | | lmt-gui
| | |
|
| torque | | | | 2.4.14
| | |
|
| TotalView | | 8.9.2.1
| | 8.9.1 8.9.0 8.8.0a 8.7.0 8.6.0
| 8.6.1-1 8.6.0-2 8.3.0-1
| 8.10.0-1 8.11.0-3
|
| TotalView, a source- and machine-level debugger with support for Fortran, C, C++, OpenMP, MPI, and threads. TotalView |
| tpsl | | | | 1.1.00 1.0.01 1.0.0
| | |
|
| trackvis | | | | | 0.5.1
| |
|
| treefinder | | march2011
| | | | |
|
| trilinos | | | | 10.6.2.0 10.6.0 10.2.0 10.0.1
| | 10.10.0
|
|
| Turbomole |  | | | | 6.3_serial 6.3_parallel 6.3_felles 6.2_parallel 6.2_huge_serial 6.2_huge_parallel 6.0.2_serial 6.0.2_parallel 5.10_serial 5.10_parallel
| |
| Program Package for ab initio Electronic Structure Calculations. |
| uclust | | 1.2.22
| | | | |
|
| udunits | | | | 2.1.7
| | 2.1.24
|
|
| umcp | | | | | 11
| |
|
| UNPHASED |  | 3.1.6
| | | | |
| Software for genetic association analysis. |
| usearch | | 5.2.32
| | | | |
|
| valgrind |  | | 3.7.0 3.8.1
| | 3.5.0 3.6.0
| 3.7.0
|
| Valgrind is an instrumentation framework for building dynamic analysis tools. There are Valgrind tools that can automatically detect many memory management and threading bugs, and profile your programs in detail. You can also use Valgrind to build new tools. |
| vasp |  | 5.3.3 5.3.2 5.2.11
| | | | |
| Vienna Ab-initio Simulation Package. |
| velvet | | 1.2.07
| | | | |
|
| viennarna | | 2.0.7
| | | | |
|
| vim | | | | 7.2
| | 7.2
|
|
| visit | | | | | | 2.4.2
|
|
| vislcg3 | | 2012.09.27
| | | | |
|
| vmd | | | 1.9.1
| | | |
|
| vtk | | | | | | 5.8.0
|
|
| vtune | | | | | | 13.1
|
|
| vtune_amplifier | | 2013.3
| | | | |
|
| wise2 | | 2.4.1
| | | | |
|
| wps | | | | 3.3.1 3.3 3.2.1 3.2 3.1.1 3.1 3.0.1
| | |
|
| wrf | | | | clWRF 3.3.1 3.3 3.2-mpt4 3.2.1 3.2 3.1.1 3.1 3.0.1.1 2.2.1
| | |
|
| wrfchem | | | | 3.2.1 3.2 3.1.1 3.1 3.0.1.1
| | |
|
| wrfda | | | | 3.2 3.1.1
| | |
|
| wrfnl | | | | 3.2
| | |
|
| wrfplus | | | | 3.2
| | |
|
| wrfpolar | | | | 3.1.1
| | |
|
| xt-asyncpe | | | | 5.00 4.9 4.8 4.7 4.6 4.5 4.4 4.3 4.2 4.0 3.9 3.4
| | |
|
| xt-lgdb | | | | 1.4 1.3 1.2
| | |
|
| XT-libsci | | | | 10.5.02 10.5.01 10.5.0 10.4.9 10.4.8 10.4.5
| | |
| Cray Scientific Library that includes optimized LAPACK, BLAS, BLACS, ScaLAPACK, SuperLU, IRT |
| xt-mpt | | | | 5.3.1 5.3.0 5.2.3 5.2.2 5.2.1 5.2.0 5.1.4 5.1.3 5.1.2 5.1.1 5.1.0 5.0.2 5.0.1 5.0.0 4.1.1 4.1.0.1 4.0.3 4.0.2 4.0.1 4.0.0 3.5.1 3.4.2 3.3.0 3.2.0
| | |
|
| xt-papi | | | | 4.1.2 4.1.0.0.2 4.1.0 3.6.2.2 3.6.1a
| | |
|
| yaml | | 0.1.4
| | | | |
|