Multiple software and tools are available on MeSU Supercomputer. Some of them are provided by the Linux distribution and directly available, some others have been setup by the administrators in a shared storage and must be loaded using the Module tool.
If you need a software that is not available, please fill in a software installation request.

Module basics

Listing all available software/modules :

module avail

Loading a software environment :

module load modules_names

Example:

module load intel/intel-mpi/4.1.0.024  intel/intel-compilers-18.0/18.0

Listing loaded software environments :

module list

 Unloading a software environment :

module unload module_name

 Unloading all software from your environment :

module purge

List of available software

Frameworks

NameVersionDistributionDescription
CP2K5.1.2
6.1
8.2
9.1
ModuleQuantum chemistry and solid state physics
FDS6.7ModuleFire dynamics simulator
Freefem++3.6
4.9
ModulePartial Differential Equation solver
Gromacs2018
2019
2021
ModuleGROningen MAchine for Chemical Simulations
NAMD2017ModuleParallel molecular dynamics code
ORCA3.0.3
4.2.1
5.0.0
5.0.1
ModuleAb initio quantum chemistry program
Quantum-Espresso6.2
6.3
6.5
6.7
7.0
ModuleOpen-Source computer codes for electronic-structure calculation
LAMPPS2017
2018
ModuleMolecular Dynamic Simulation
OpenFOAM4.1
2112
ModuleOpen source software for computational fluid dynamics (CFD)
MatlabR2018b
R2019b
R2020b
R2022a
ModuleNumerical computing environment
Wolfram Mathematica12.3ModuleNumerical computing environment
R3.4.3
3.5.3
3.6.3
4.1.3
ModuleStatistical computing and graphics environment
JAGS4.3ModuleSimulation of Bayesian hierarchical models using Markov chain Monte Carlo
OpenBUGS3.2.3ModuleBayesian analysis of complex statistical models using Markov chain Monte Carlo
Nest2.20ModuleSimulator for spiking neural network models
Gazebo11.0.0ModuleRobotics simulator

Development tools

Compilers/Interpreters

NameVersionDistributionDescription
GCC4.8.5OSGNU Compiler Collection (C/C++, Fortran)
GCC6.5.0
8.2.0
11.2.0
ModuleGNU Compiler Collection (C/C++, Fortran)
Intel2013.1.046
2016.2
2017.1
2017.2
2018.0
2018.2
2021.3
ModuleIntel Compilers (C/C++, Fortran)
LLVM7.0
10.0
ModuleLLVM C Compiler
Python2.7.13
3.4.6
OSObject-oriented, interpreted, and interactive programming language
Python2.7.15
3.6.2
3.9.7
ModuleObject-oriented, interpreted, and interactive programming language
Julia0.6.1
1.3.1
1.6.0
ModuleHigh-level, high-performance, dynamic programming language
Haskell (GHC)7.10.3OSAdvanced, purely functional programming language
Java1.8.0_171OSGeneral-purpose programming language that is class-based and object-oriented
Lua5.2OSLightweight, high-level, multi-paradigm programming language
Perl5.18OSHigh-level, general-purpose, interpreted, dynamic programming language
CUDA9
10
ModuleParallel computing platform and application programming interface (API) for Nvidia GPUs

MPI Implementation

NameVersionDistributionDescription
OpenMPI2.1.4
3.0.0
3.1.2
3.1.5
4.0.0
4.0.3
4.1.1
4.1.2
4.1.3 (recommended)
ModuleOpen-source MPI implementation
IntelMPI4.1.3.048
5.1.3.181
2017.1.132
2017.2.174
2018.0.128
2018.2.199
2021.3 (recommended)
ModuleIntel MPI implentation
SGI MPT2.18ModuleSGI Message Passing Toolkit

Libraries

Scientific libraries

NameVersionDistributionDescription
BLAS3.8ModuleBLAS routines implementation
CBLAS20110120-7.8OSCBLAS routines implementation
LAPACK3.5.0OSLAPACK routines implementation
SCALAPACK2.0.2OSSCALAPACK routines implementation
Intel MKL2013.1.046
2016.2
2017.1
2017.2
2018.0
2018.2
2021.3
ModuleIntel optimized Math Kernel Library
(includes BLAS, CBLAS, LAPACK, SCALAPACK, FFTW)
ELPA2016.05OSEigenvalue solver
Eigen3.2.2OSEigenvalue solver library
MUMPS4.9.2OSParallel sparse direct solver
Pastix5.2.2OSParallel Sparse matriX package
Petsc3.4.3OSData structures and routines for the scalable solution of scientific applications modeled by partial differential equations
Petsc3.8ModuleData structures and routines for the scalable solution of scientific applications modeled by partial differential equations
FFTW2.1
3.3.5
OSLibrary for computing the discrete Fourier transform (DFT)
FFTW3.3.8
3.3.10
ModuleLibrary for computing the discrete Fourier transform (DFT)
Metis5.1.0OSGraph-partitioning library
Scotch6.0.4OSGraph-partitioning library
NetCDF4.4.1OSLibrary for manipulating Network Common Data Form files
HDF4.2.11OSLibrary for the Hierarchical Data Format (HDF)

Other libraries

NameVersionDistributionDescription
Boost1.61OSC++ extension library
Boost1.65ModuleC++ extension library