Software Catalogue
HPC Cluster (raad2)
Software listed in this section is deployed on the TAMUQ HPC cluster raad2. Each package is licensed under a different agreement. Users are required to review and abide by all applicable license terms.
Users may contact us via the Service Desk (servicedesk@qatar.tamu.edu) to request installation of packages not currently found on the list below. Note that applications required by individual users (particularly open source packages) may also be installed by the user himself/herself within their home directory; such installs do not require administrative rights. If a new package is likely to be used by multiple users however, or if a user does not have the know-how to install a package themselves, our staff may be requested to perform the install.
| Product | Domain | Vendor | Version | Internal
Documentation |
External
Documentation |
Comment |
|---|---|---|---|---|---|---|
| Scientific Applications | ||||||
| ANSYS Academic
Research |
Computation Fluid Dynamics | ANSYS Inc. | v195, v231, 2023R1, 2023R2 | 
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| CERN Open Data Client | Computational Physics | CERN | 0.3.0 |
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| COMSOL Multiphysics | Physics Modeling & Simulation | COMSOL | 6.2 |
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| CP2K | Molecular Dynamics | cp2k.org | 2023.1 |
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| FEniCS | Scientific Computing Tools | fenicsproject.org | 201910b1, 6u06_c604 |
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| Garfield | Computational Physics | CERN | parallel, serial |
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| Gate | Computational Physics | opengate | 9.1, 9.3 |
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| Gaussian | Computational Chemistry | Gaussian Inc. | g09.d01 |
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| Geant4 | Particle Dynamics | CERN | 10.07.p02, 10.07.p03, 11.1.2 |
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| GROMACS | Molecular Dynamics | GROMACS | 4.6.5 |
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| LAMMPS | Molecular Dynamics | Sandia National | 12Dec18li |
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| MadGraph5_
aMC@NLO |
Computational Physics | launchpad.net | 2.6.7 |
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| MATLAB | Numerical Analysis | The Mathworks | r2016a, r2019a, r2021a, r2022a |
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| NAMD | Molecular Dynamics | uiuc.edu | 212 |
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| OpenFoam | Math Numerical Library | CFD support | OpenFOAM-in-Box-20.09v2-22-g178c07ee |
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| ROOT | Data Analysis | CERN | 5.34.38, 6.18.04, 6.19.02, 6.28.06 |
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| STIR | Tomographis Imaging | Open Source | 4.0.1 |
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| TOPAS | Particle Simulation | topasmc.org | v37, v39 |
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| Development / Runtime tools | ||||||
| anaconda | Python package management | ANACONDA | 2023.03-1, 2023.07-2, anaconda3 |
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| cmake | Software development
toolchain |
cmake.org | 3.22.2 |
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| GCC | Compiler suite | GNU | 8.1.0, 8.3.0, 9.3.0, 10.3.0, 11.2.0, 12.1.0 |
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| GDB | Debugger | GNU | 11.1 |
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| PGI | Compiler suite | PGroup | 16.10 |
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| Python | Programming Language | Python | 3.8.5.1, 3.9.13.2, 3.11.3 |
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| R | Programming Language | r-projet.org | 362 , 363, 422, 4.0.5.0, 4.2.1.1 |
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| SingularityPRO | Container runtime | Sylabs | 3.7-4 |
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| SLURM | Workload Manager | SchedMD | 20027 |
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| CRAY Software Development toolchain | ||||||
| Cray C Compiler
(CCE) |
Compiler | Cray |
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| Cray Fortran Compiler
(CCE) |
Compiler | Cray |
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| Cray-mpich | Parallelization library | Cray | 7.7.17, 7.7.20 |
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| Cray Scientific and
Math Libraries (SCML) |
Math Numerical Library | Cray |
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| Intel Software Development toolchain (2020) | ||||||
| Intel C / C++ Compiler | Compiler | Intel Inc. | 19.1.3.304 |
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| Intel Fortran Compiler | Compiler | Intel Inc. | 19.1.3.304 |
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| Intel MPI Library | Parallelization library | Intel Inc. |
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| Intel Math Kernel Lib. (MKL) | Math Numerical Library | Intel Inc. |
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| Libraries | ||||||
| Boost | C++ helper libraries | Boost.org | 1.76.0 |
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| CLHEP | Computational Physics | CERN | 2.4.4.1 |
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| FFmpeg | Audio/Video flux libraries | ffmpeg.org |
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| GDCM | Computational Medical | INSA LYON | 3.0.21 |
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| GSL
(GNU Scientific Library) |
Math Numerical Library | GNU | 2.7 |
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| IMSL | Math Numerical Library | IMSL | 2021.0.0 |
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| jemalloc | System library for
memory allocation |
jemalloc.net | 5.1.0.3 |
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Desktop & Laptop Systems
Research Computing provides guidance for installing these applications on user desktops and/or laptops. Installation files for these applications may be found in the following shared network folder : P:\Office of Research\Research Computing\RC
| Product | Domain | Vendor | Version | Internal
Documentation |
External
Documentation |
Comment |
|---|---|---|---|---|---|---|
| Scientific Applications | ||||||
| ABAQUS | Structural Mechanics | Simulia | 6.11-1, 6.12, 6.13-1, 2016, 2019 |
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| ANSYS Academic
Research |
Computation Fluid Dynamics | ANSYS Inc. | 14, 14.5, 16.1, 16.2, 17.2, 18.1, 19.2, 2019R3, 2019R2, 2023R1, 2023R2, 2024R1 |
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| ANSYS Chemkin | Computational Chemistry | ANSYS Inc. | 18.0 |
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| ANSYS HFSS | Structure Simulation Software | ANSYS Inc. | 15.0 | |||
| Autodesk 3DS MAX | Computer Graphics | Autodesk | 2015 |
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| Autodesk Stingray | 3D game engine | Autodesk | 1.4.728 |
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| Avizo | Image Analysis | Thermofisher | 7.0, 8.0, 8.0.1, 8.1, 9.2, 2019.4, 2021.2, 2023.1.1 |
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| ChemBioOffice Ultra
(ChemOffice for Windows or ChemDraw for Mac) |
Productivity Tools for Chemists & Biologists | PerkinElmer | 22.0 |
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| COMSOL Multiphysics | Physics Modeling & Simulation | COMSOL | 6.2 |
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| Ensight | Simulation Data Visualization | ANSYS Inc. | 100Full-10.0.2h |
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| LabVIEW | System Engineering Software | Emerson | fall2012, 2014, 2015 SP1, 2016 |
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| Wolfram Mathematica | Symbolic Analysis | Wolfram Research | 9.00, 11.0.1, 11.3.0, 13.1.0 |
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| MATLAB | Numerical Analysis | The Mathworks | 2011b, 2012a, 2012b, 2013a, 2013b, 2014a, 2015a, 2016a, 2017a, 2017b, 2017a, 2017b, 2018b, 2019a, 2019b, 2021a, 2023a | install:
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| OpenFoam | Computational Fluid Dynamics | openfoam | 231 |
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| Origin | Data Analysis and Graphing | OriginLab | 851, 2015, 2017, 2020, 2023b |
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| QuantumATK | Material Simulation | Synopsys | 2019.03 |
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| SigmaPlot | Data Visualization and Graphing | Systat Software | 11.0, 12.0 |
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| SOLIDWORKS | 3D CAD Design software | Dassault Systemes | 2013, 2014, 2015 SP04, 2017, 2019, 2024 |
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| STAR-CCM++ | Computation Fluid Dynamics | Siemens | 10.06.010_01_win6-r8 |
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| Tecplot | Data Visualization & Analysis | tecplot | 360ex |
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| Development / Runtime tools | ||||||
| Intel OneAPI Base toolkit | Heterogeneous Development
toolkit |
Intel Inc. | 2023.2.0 |
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| Intel HPC toolkit | HPC Specific Development
toolkit |
Intel Inc. | 2024.0.0 |
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| Intel C++ compiler | Legacy Compiler | Intel Inc. | 11.1 |
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| Intel Visual Fortran compiler | Legacy Compiler | Intel Inc. | 11.1, SP1, 2011, 2013-sp1, 2013.1.119, 2013.3.171 |
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| Java JDK | Programming Language | Oracle | 1.7.0 |
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| PGI Compiler | Compiler Suite | PGroup | 2015 |
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| VirtualBox | Virtualization | Oracle | 4.2.6, 4.3.14, 4.3.20, 4.3.4, 4.3.6, 4.3.20, 5.0.12, 5.0.20 |
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| VisualStudio | IDE | Microsoft | 2008Pro, 2010Pro, 2010ProSP1, 2019CommunityEdition |
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| Utilities | ||||||
| Cyberduck | FTP & SFTP client | cyberduck.io |
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| FileZilla | File manager | filezilla-project.org | any |
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| LaTex editors:
Miktex, Texmakerwin, winedt |
High-quality typesetting system | latex-project.org | miktex-2.9.4407, texmakerwin32, winedt54 |
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| MobaXterm | X server and SSH client | Mobateck | 8.4, v9.0, v10.2 |
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| PuTTY | Terminal emulator and
remote SSH connection |
putty.org | any |
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| WinSCP | Windows File Manager | WinSCP.net | any |
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GPU Cluster (raad2-gfx)
Software listed in this section is deployed on the GPU cluster raad2-gfx. Each package is licensed under a different agreement. Users are required to review and abide by all applicable license terms.
Users may contact us via the Service Desk (servicedesk@qatar.tamu.edu) to request installation of packages not currently found on the list below. Note that applications required by individual users (particularly open source packages) may also be installed by the user himself/herself within their home directory; such installs do not require administrative rights. If a new package is likely to be used by multiple users however, or if a user does not have the know-how to install a package themselves, our staff may be requested to perform the install.
| Product | Domain | Vendor | Version | Internal
Documentation |
External
Documentation |
Comment |
|---|---|---|---|---|---|---|
| Scientific Applications | ||||||
| Avizo | Image Analysis | Thermofisher | 7.0, 8.0, 8.0.1, 8.1, 9.2, 2019.4, 2021.2, 2023.1.1 |
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| BigDFT | Density Functional Theory | OpenSource |
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| CMG Builder | Reservoir Simulation Models | CMG |
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| CMG Results | Reservoir Visualization | CMG |
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| EnSight | Simulation Data Visualization | ANSYS Inc. | 100Full-10.0.2h |
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| FlightGear | Flight Simulation | Flightgear.org |
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| GROMACS GPU | Molecular Dynamics | GROMACS | 2018.2 |
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| LAMMPS GPU | Molecular Dynamics | Sandia National Labs | 2018.10 |
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| MATLAB GPU | Numerical Analysis | The Mathworks | r2014a |
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| NAMD GPU | Molecular Dynamics | uiuc.edu | 2.13 |
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| OpenSceneGraph | 3D graphics toolkit | OpenSceneGraph |
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| ParaView | Data Visualization | Paraview.org |
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| PyTorch | Machine Learning | Pytorch.org |
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| Rhino3D | CAD Modelling Software | Rhinoceros | 4.0 |
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| SLURM | Workload Manager | SchedMD | 20.02.6, 20.11.7, 21.08.0 |
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| SketchUp | 3D Design Software | Trimble |
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| TensorFlow | Machine Learning | Tensorflow.org |
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| Visualization Toolkit Library
(VTK) |
3D Graphics and scientific
visualization |
VTK |
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| Vizard Virtual Reality Toolkit | VR eye-tracking | worldviz |
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| Development tools | ||||||
| Anaconda | Python package management | ANACONDA |
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| CUDA | C++ GPU Programming | Nvidia | 10.1, 10.2, 11.0, 11.1, 11.2, 11.6, 11.8 |
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| cuDNN | Deep Neural Network accelerator | Nvidia | cudnn7.6-cuda10.2, cudnn8.0-cuda10.2, cudnn8.0-cuda11.0, cudnn8.0-cuda11.1, cudnn8.1-cuda11.2, cudnn8.5-cuda11.8 |
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| GDB | Debbugger | GNU | 8.2-11.el8 |
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| GlobalArrays | Partitioned Global Address
Space programming |
Pacific Northwest | 5.7 |
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| hwloc | Hardware resource discovering | open-mpi.org | 1.11.11 |
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| Julia | Parallele Programming Language | julialang.org | 1.2.0 |
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| Jupyter Lab | Interactive Computing | Jupyter.org |
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| Python GPU | Programming Language | 2.7.9 |
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| RAPIDSai | GPU Data Management | rapids.ai | rapids0.13-cuda10.0, rapidsai_0.18-cuda11.0 |
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| Libraries | ||||||
| BLACS | Linear algebra oriented MPI | The Netlib | 1.1patch03 | |||
| BLAS | Vector and Matrix operations | The Netlib | 3.8.0 |
|
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| FFTW | Discrete Fourier Transform
computation |
fftw.org | 3.3.8 |
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| HDF5 | Data Management | HDFGroup.net | 1.8.21, 1.10.1 |
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| LAPACK | Numerical linear algebra | The Netlib | 3.9.0 |
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| MPICH | Message Passing library | mpich.org | 3.3.2 |
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| MVAPICH2 | Message Passing library | The Ohio State | 2.3.4 |
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| NetCDF | Data Management | UCAR | 4.7.3 |
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| OpenBLAS | Vector and Matrix operations | openblas.net | 0.3.7 |
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| OpenMPI | Message Passing library | open-mpi.org | 1.10.7, 3.1.6 |
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| UCX | HPC Communication framework | openucx.org | 1.8.1 |
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