In this page, available versions are mainly described only for the default version and the latest version.
For details of other available versions, please refer to the module avail command on TSUBAME.
Commercial Applications
There are restrictions on the applications that can be used by non-University users.
Also, some applications have restrictions on execution due to the number of licenses.
For details, please refer to About license restriction of commercial applications.
| Application name | module name | Overview | GPU compatible | Main versions available | No. of licenses | Remarks |
|---|---|---|---|---|---|---|
| Development Environment, Library | ||||||
| Intel oneAPI | intel | Development environment for CPU | 2024.0.2 2025.0.0 | |||
| NVIDIA HPC SDK | nvhpc | Development environment for CPU/GPU | ○ | 24.1 | ||
| AMD AOCC | aocc | Development environment for CPU | 4.1.0 | |||
| Commercial Applications | ||||||
| ANSYS | ansys | Analysis software | 2024R1 | 50 | ||
| ABAQUS/ CAE | abaqus | Analysis software | ○ | 2024 | 50/10 | |
| Gaussian/GaussView | gaussian gaussview | Quantum chemical calculation program/pre-post tool | 16 C.02 | unlimited | GPU version is waiting for H100 support | |
| AMBER | amber amber/22up05_ambertools23up06_cpu amber/22up05_ambertools23up06_gpu amber/22up05_ambertools23up06_py310 amber/24up01_ambertools24up02 | Molecular dynamics calculation program | ○ | 22up05 24up01 | unlimited | |
| Materials Studio | Chemical simulation software | 2024 | 20 | |||
| Discovery Studio | Chemical simulation software | 2024 | 20 | |||
| Mathematica | mathematica | Mathematical processing software | 14.0 14.1 | 1000 | ||
| COMSOL Multiphysics | comsol | Analysis software | 6.2 u2 6.2 u3 | 2 | ||
| Schrödinger Small-Molecule Drug Discovery Suite | schrodinger | chemical simulation software | 2024-1 | 2 | ||
| MATLAB | matlab | Numerical calculation software | ○ | R2024a R2024b | unlimited | |
| VASP | VASP | Quantum molecular dynamics calculation program | ○ | 6.4.2 6.4.3 | License holders can apply for access to compiled binaries here. | |
Free software
| Application name | module name | Overview | GPU compatible | Main versions available | Remarks |
|---|---|---|---|---|---|
| Solver , Simulator | |||||
| GAMESS | gamess/Jun302023R1 | solver , simulator | Jun302023R1 | ||
| Tinker | tinker/8.10.5 | solver , simulator | 〇 | 8.10.5 | |
| GROMACS | gromacs/2024 | solver , simulator | 〇 | 2024 2023-plumed 2024.2-plumed | |
| LAMMPS | lammps/2aug2023_u3 | solver , simulator | 〇 | 2Aug2023_update3 | |
| NAMD | namd/3.0b6 | solver , simulator | 〇 | 3.0b6 | |
| QUANTUM ESPRESSO | quantumespresso/7.3.1 | solver , simulator | 〇 | 7.3.1 | |
| CP2K | cp2k/2024.1 | solver , simulator | 〇 | 2024.1 | |
| OpenFOAM | openfoam/11.0 openfoam-esi/v2312 | solver , simulator , visualization | 11.0 v2312 | ||
| GPU , Machine learning , Visualization | |||||
| CUDA | cuda/12.3.2 | GPU library | 〇 | 12.3.2 | |
| CuDNN | cudnn/9.0.0 | GPU library | 〇 | 9.0.0 | |
| NCCL | nccl/2.20.5 | GPU library | 〇 | 2.20.5 | |
| TensorFlow | DeepLearning framework | 〇 | Install in user environment | ||
| DeePMD-kit | deepmd-kit/2.2.9 | MD用DeepLearning framework | 〇 | 2.2.9 | |
| PyTorch | Machine learning | Install in user environment | |||
| R | R/4.4.0 | Interpreter (compatible with Rmpi, rpud) | 4.4.0 | ||
| Hadoop | hadoop/3.3.6 | Distributed data processing tools | 3.3.6 | ||
| POV-Ray | pov-ray/3.7.0.9 | Visualization | 3.7.0.9 | ||
| ParaView | paraview/5.12.0 paraview/5.12.0-egl | Visualization | 〇 | 5.12.0 | |
| VisIt | visit/3.1.4 | Visualization | 3.1.4 | ||
| vmd | vmd/1.9.4 | Visualization | 1.9.4 | ||
| VESTA | VESTA/3.5.8 | Visualization | 3.5.8 | ||
| turbovnc | turbovnc/3.1.1 | Remote GUI (X11) display | 3.1.1 | ||
| VirtualGL | turbovnc/3.1.1 | Remote GUI | 〇 | 3.1.1 | Included in turbovnc module |
| Open OnDemand | Web portal for HPC | 3.0.3 | |||
| gnuplot | Data visualization | 5.4.3 | |||
| Others | |||||
| GIMP | Image display/edit | 2.99.8 | |||
| Tgif | tgif/4.2.5 | Image display/edit | 4.2.5 | ||
| ImageMagick | Image display/edit | 7.1.1-29 | |||
| TeX Live | TeX distribution | 2020 | |||
| OpenJDK | Development environment | 1.8.0 11.0.2 21.0.2 | Default is 11.0.2 | ||
| python | Development environment | 3.9.18 | |||
| ruby | Development environment | 3.0.4p208 | |||
| perl | Development environment | 5.32.1 | |||
| PHP | Development environment | 8.0.30 | |||
| golang | Development environment | 1.20.10 | |||
| Emacs | Editor | 27.2 | |||
| vim | Editor | 8.2 | |||
| PETSc | Linear system solver, library | 3.20.4 | |||
| FFTW | fftw/3.3.10-gcc fftw/3.3.10-intel ffw/3.3.10-nvhpc | Fast Fourier Transform Library | 3.3.10 | ||
| Apptainer | Container management | 1.2.5-1.el9 | |||
| Spack | spack/0.21.2 | Software package management | 0.21.2 | ||
| miniconda | miniconda/24.1.2 | Software package management | 24.1.2 | ||
| PyPl | Software package management | 3.9 | |||
| Rbenv | Software package management | 1.2.0 | |||
| Alphafold | alphafold/2.3.2 | bio | 〇 | 2.3.2 | |
| tmux | tmux/3.3 | Terminal multiple connection | 3.3 | ||
| NetCDF | netcdf-parallel/4.9.2/gcc11.4.1 | Multidimensional data format | 4.9.2 | ||
| HDF5 | hdf5-parallel/1.14.3/gcc11.4.1 | Hierarchical data format | 1.14.3 | ||
| ffmpeg | ffmpeg/6.1.1 | Video/audio processing | 〇 | 6.1.1 | |
| Automake | automake/1.17 | Compiling | 1.16.2 1.17 | Use version 1.16.2 when the module command is not used. | |
| Autoconf | autoconf/2.72 | Environment building | 2.69 2.72 | Use version 2.69 when the module command is not used. | |