Application software

(As of Jan.20 2023)

ISV application

ISV applications, except for "Development Environment, Library" and Gaussian, are available to only the users belonging to Tokyo Institute of Technology and having a Student ID card or a Staff ID card, not including an Access card . A list of module files will be shown when you type "module av" command on a login node.​​​​​​  On the table below, module files written in bold are as default versions.
Some applications have restriction on execution.

Name Overview GPU compatible Version No. of licenses Remarks
Development Environment, Library
Intel Compiler(Intel Parallel Studio XE Cluster Edition) Intel development environment  
2016update4 intel/16.0.4.258
2017update4 intel/17.0.4.196
2017update5 intel/17.0.5.239
2018update1 intel/18.0.1.163
2019update0 intel/19.0.0.117
2020update0 intel/19.1.0.166
2020update1 intel/19.1.1.217
2020update4 intel/19.1.3.304
2021.1 intel/21.1.1
2021.2 intel/21.2.0
2021.5 intel/21.5.0
2023.0 intel/23.0.0
5 intel oneAPI since 2021.1
PGI Compiler PGI compiler ○
17.5 pgi/17.5
17.10 pgi/17.10
18.1 pgi/18.1
18.7 pgi/18.7
19.1 pgi/19.1
19.7 pgi/19.7
20.1 pgi/20.1
5

There are two versions of PGI compiler, LLVM version and no LLVM version.

To use LLVM version, invoke $ module load pgi/xxx.

To use no LLVM version, invoke $ module load pgi-nollvm pgi/xxx.
NVIDIA HPC SDK successor to the PGI compiler ○
20.9 nvhpc/20.9
21.2 nvhpc/21.2
21.7 nvhpc/21.7
22.2 nvhpc/22.2
23.1 nvhpc/23.1
   
Arm Forge (Previously: Allinea Forge) Integrated Development environment（debug, profiling, optimisation, coding, build)  
7.0.5 forge/7.0.5
allinea/7.0.5
18.0.1 forge/18.0.1
19.0.5 forge/19.0.5
20.0.3 forge/20.0.3
21.0.0 forge/21.0.0
21.1.3 forge/21.1.3
22.1.3 forge/22.1.3
32 concurrent 
64 parallels		  
CUDA CUDA compiler  
8.0.44 cuda/8.0.44
8.0.61 cuda/8.0.61
9.0.176 cuda/9.0.176
9.1.85 cuda/9.1.85
9.2.148 cuda/9.2.148
10.0.130 cuda/10.0.130
10.1.105 cuda/10.1.105
10.2.89 cuda/10.2.89
11.0.194 cuda/11.0.194
11.0.3 cuda/11.0.3
11.2.146 cuda/11.2.146
11.5.0 cuda/11.5.0
11.6.1 cuda/11.6.1
11.6.2 cuda/11.6.2
12.1.0 cuda/12.1.0
  versions of later than cuda/11.0.3 are working under CUDA driver 11.0.3 with CUDA Comptibility Platform.
CuDNN NVIDIA CUDA® Deep Neural Network library (CuDNN) ○
5.1 cudnn/5.1
6.0 cudnn/6.0
7.0 cudnn/7.0
7.1 cudnn/7.1
7.6 cudnn/7.6
8.1 cudnn/8.1
8.3 cudnn/8.3
8.8.1 cudnn/8.8.1
  		    
NCCL NVIDIA Collective Communications Library (NCCL) ○
1.3.4 nccl/1.3.4
2.1 nccl/2.1
2.2.13 nccl/2.2.13
2.4.2 nccl/2.4.2
2.8.4 nccl/2.8.4
2.12.7 nccl/2.12.7
2.17.1 nccl/2.17.1
   
intel MPI intel MPI library  
17.3.196 intel-mpi/17.3.196
17.4.239 intel-mpi/17.4.239
18.1.163 intel-mpi/18.1.163
19.0.117 intel-mpi/19.0.117
19.6.166 intel-mpi/19.6.166
19.7.217 intel-mpi/19.7.217
19.9.304 intel-mpi/19.9.304
21.1.1 intel-mpi/21.1.1
21.2.0 intel-mpi/21.2.0
21.5.1 intel-mpi/21.5.1
21.8.0 intel-mpi/21.8.0
  intel oneAPI since 21.1.1
mpt sgi mpt MPI library  
2.16 mpt/2.16
   
Numerical analysis / Visualization
Mathematica Mathematical symbolic computation program P100 not supported
11.1.1 mathematica/11.1.1
11.2 mathematica/11.2.0
11.3.0 mathematica/11.3.0
12.0.0 mathematica/12.0.0
12.1.0 mathematica/12.1.0
12.1.1 mathematica/12.1.1
12.2.0 mathematica/12.2.0
13.1.0 mathematica/13.1.0
13.2.1 mathematica/13.2.1
unlimited  
Maple Mathematical software package ○
2019.1 maple/2019.1
2019.2.1 maple/2019.2.1
2020.1 maple/2010.1
2021.1 maple/2021.1
1  
MATLAB Multi-paradigm numerical computing environment ○
R2017a matlab/R2017a
R2017b matlab/R2017b
R2018a matlab/R2018a
R2018b matlab/R2018b
R2017a u3 matlab/R2017a_u3
R2017b u9 matlab/R2017b_u9
R2018a u6 matlab/R2018a_u6
R2019a matlab/R2019a
R2019b matlab/R2019b
R2020a matlab/R2020a
R2020b matlab/R2020b
R2021a matlab/R2021a
R2021b matlab/R2021b
R2022a matlab/R2022a
R2022b matlab/R2022b
R2023a matlab/R2023a
unlimited  
AVS/Express Visualzation software  
8.4 avs/8.4
8.5 avs/8.5
20  
AVS/Express PCE Parallelizable visualization software, Parallel Cluster Edition (PCE) of AVS/Express  
8.4 avs/8.4
1  
Simulation Software
ANSYS Analysis software package forcused on finite element method CAE Fluent:○
18.1 ansys/R18.1
18.2 ansys/R18.2
19.0 ansys/R19.0
19.3 ansys/R19.3
19.4 ansys/R19.4
19.5 ansys/R19.5
20.1 ansys/R20.1
20.2 ansys/R20.2
21.1 ansys/R21.1
22.1 ansys/R22.1
22.2 ansys/R22.2
23.1 ansys/R23.1
50 token(Mechanical$CFD, Electronics Suite)
256 token(HPC)		 Although originally only fluent, then Mechanical was added and T3 also includes electromagnetic analysis package.
Academic Product Reference Table Version 2021
Academic Product Reference Table Version 2022 R1
Academic Product Reference Table Version 2023 R1
Please check "Academic Research Multiphysics Campus Solution"
ABAQUS finite element analysis software ○
2017 abaqus/2017
2020 abaqus/2020
2021 abaqus/2021
2022 abaqus/2022
2023 abaqus/2023
500 token
(140token/1user)		  
ABAQUS CAE Complete solutions for Abaqus finite element modeling, visualization, and process automation  
2017 abaqus/2017
2020 abaqus/2020
2021 abaqus/2021
2022 abaqus/2022
10 token  
MSC One Analysis software package forcused on finite element method CAE Nastran:○
2017

dytran/2017
marc_mentat/2017
marc_mentat/2017.1
nastran/2017.1
patran/2017.0.2
2018

dytran/2018

marc_mentat/2018.1
nastran/2018.1
nastran/2018.2
nastran/2018.2.1
patran/2018.0
2019

marc_mentat/2019

marc_mentat/2019.1

nastran/2019.0

patran/2019.0

patran/2019fp1
2020

marc_mentat/2020

marc_mentat/2020.1

nastran/2020.0

patran/2020.0
2021

marc_mentat/2020.1

marc_mentat/2021.1

marc_mentat/2021.2

marc_mentat/2021.4

nastran/2021.0

nastran/2021.1

nastran/2021.2

nastran/2021.4

patran/2021.0

patran/2021.1

patran/2021.2

patran/2021.4

dytran/2021

dytran/2021.1

dytran/2021.2
2022

marc_mentat/2022.1

marc_mentat/2022.3

marc_mentat/2022.4

nastran/2022.1

nastran/2022.3

nastran/2022.4

patran/2022.1

patran/2022.3

patran/2022.4

dytran/2022.1

dytran/2022.2
2023

marc_mentat/2023.1

nastran/2023.1

patran/2023.1

770 token
including Nastran, Patran, Apex, Dytran, Marc/Mentat

  
Gaussian General purpose computational chemistry software package P100 not supported
16 A.03 gaussian16/A03
16 B.01 gaussian16/B01
16 B.01 gaussian16/B01_gpu
16 C.01 gaussian16/C01_cpu
16 C.01 gaussian16/C01_gpu
unlimited  
Gauss View Grafical interface used with Gaussian  
6 gaussview/6
unlimited  
AMBER Molecular dynamics program ○
16 amber/16
16cuda amber/16_cuda
16up10 amber/16up10
16up10cuda amber/16up10_cuda
16up12cuda amber/16up12_cuda
18up5 amber/18up5
18up12 amber/18up12
20up0 amber/20up0
20up08 amber/20up08
22up0 amber/22up0
unlimited  
Materials Studio Modeling simulation environment for materials science  

2017 R2

2018

2020

2021

2022

2023

 20 token  
Discovery Studio Modeling simulation environment for life science  

2017 R2

2018

2020

2021

2022

 20 token  
LS-DYNA General purpose nonlinear structure analysis software  
R9.1.0 lsdyna/R9.1.0
R9.3.1 lsdyna/R9.3.1
R10.1.0 lsdyna/R10.1.0
R10.2.0 lsdyna/R10.2.0
R11.1.0 lsdyna/R11.1.0
16  
COMSOL Multiphysics General purpose engineering simulation software based on finite element method  
5.3.0.260 comsol/53
5.3.1.180 comsol/53a
5.3.1.201 comsol/53a_u1
5.3.1.229 comsol/53a_u2
5.3.1.275 comsol/53a_u3
5.3.1.348 comsol/53a_u4
5.4.0.225 comsol/54
5.4.0.246 comsol/54_u1
5.4.0.346 comsol/54_u3
5.4.0.388 comsol/54_u4
5.5.0.292 comsol/55
5.5.0.306 comsol/55_u1
5.5.0.352 comsol/55_u2
5.5.0.359 comsol/55_u3
5.6.0.280 comsol/56
5.6.0.341 comsol/56_u1
5.6.0.401 comsol/56_u2
6.0.0.318 comsol/60_u0
6.0.0.354 comsol/60_u1
6.0.0.405 comsol/60_u2
6.1.0.252 comsol/61
6.1.0.346 comsol/61_u2
2 Includes the following modules (AC/DC, RF, wave optics, plasma, heat transfer, structure mechanics, CFD, CAD import)
Schrodinger Small-Molecule Drug Discovery Suite modeling simulation software package for low molecule drug discovery  
2017-2 schrodinger/Feb-17
2020-2 schrodinger/2020-2
2021-1 schrodinger/2021-1
2 The version that supports the current system's OS, SLESLES12 SP4, will not be available until 2020-2.

Free software

Name Version Overview Remarks
Machine Learning, Deep Learning Flamework
Caffe
1.0 caffe/1.0
Deep Learning framework developed by Berkeley AI Research (BAIR). Supported Python, C++.

Official site

If you want to install the latest version, please refer here
Chainer
4.3.0 chainer/4.3.0
5.2.0 chainer/5.2.0
Deep Learning framework developed by Preferred Networks. Supported Python.

Official site

If you want to install the latest version, please refer here
TensorFlow
1.9.0 tensorflow/1.9.0
1.12.0 tensorflow/1.12.0
2.4.1 tensorflow/2.4.1
2.8.0 tensorflow/2.8.0
Deep Learning framework developed by Google. Supported Python, C++

Official site

If you want to install the latest version, please refer here

Alphafold
2.0.0 alphafold/2.0.0
2.1.1 alphafold/2.1.1
2.2.0 alphafold/2.2.0
2.3.0 alphafold/2.3.0
Protein structure prediction program with using machine learning developed by DeepMind

Official site
Development Environment, Library, Tools
OpenMPI
2.1.2-opa10.9 openmpi/2.1.2-opa10.9
2.1.2-opa10.9-t3 openmpi/2.1.2-opa10.9-t3
2.1.2-opa10.9-thread-multiple openmpi/2.1.2-opa10.9-thread-multiple
3.1.4-opa10.10 openmpi/3.1.4-opa10.10
3.1.4-opa10.10-t3 openmpi/3.1.4-opa10.10-t3
4.0.7 openmpi/4.0.7
4.0.7-t3 openmpi/4.0.7-t3
OpenMPI MPI library

please use -t3 module for GPU Direct

2.1.2-opa10.9* and 3.1.4-opa10.10* are the version which is bundled in Omni-Path.
Apache Hadoop
2.8.0 hadoop/2.8.0
Distributed processing middleware for large-scale data  
openjdk
1.8.0.242 openjdk/1.8.0.242
Java development environment  
PETSc
3.7.6　real petsc/3.7.6/real
3.7.6 complex petsc/3.7.6/complex
3.9.3 real petsc/3.9.3/real
3.9.3 complex petsc/3.9.3/complex
3.14.5 real petsc/3.14.5/real
3.14.5 complex petsc/3.14.5/complex
Library group for science and technology calculation  
fftw
2.1.5 fftw/2.1.5
3.3.6 fftw/3.3.6
3.3.8 fftw/3.3.8
3.3.9 fftw/3.3.9
3.3.10 fftw/3.3.10
discrete Fourier Transform (DFT) library  
Performance API (PAPI) Library
5.5.1 papi/5.5.1
API library for hardware counter analysis of CPU and GPU  
python
3.6.5 python/3.6.5
3.8.3 python/3.8.3
3.9.2 python/3.9.2
3.10.2 python/3.10.2
3.11.2 python/3.11.2
python development environment  
gcc
8.3.0

gcc/8.3.0

gcc/8.3.0-cuda
10.1.0

gcc/10.1.0

gcc/10.1.0-cuda
10.2.0

gcc/10.2.0

gcc/10.2.0-cuda
11.2.0

gcc/11.2.0

gcc/11.2.0-cuda
12.2.0

gcc/12.2.0

gcc/12.2.0-cuda
GNU Compiler Collection  
vim
8.1 vim/8.1
text editor  
emacs
28.2 emacs/28.2
text editor  
ninja
1.10.0 ninja/1.10.0
build tool  
HDF5
1.10.1 hdf5/1.10.1
1.10.5 hdf5-parallel/1.10.5
1.12.0 hdf5-parallel/1.12.0
I/O library  
NetCDF
4.7.0 netcdf-parallel/4.7.0
4.7.4 netcdf-parallel/4.7.4
I/O library  
Numerical analysis / Visualization
ParaView
5.0.1 paraview/5.0.1
5.4.0 paraview/5.4.0
5.8.0

paraview/5.8.0

paraview/5.8.0-egl
5.9.0

paraview/5.9.0

paraview/5.8.0-egl
5.10.0

paraview/5.10.0

paraview/5.10.0-egl
5.11.0

paraview/5.11.0

paraview/5.11.0-egl
Large scale data analysis, visualization application  
POV-Ray
3.7.0.3 pov-ray/3.7.0.3
Visualization application  
VisIt
2.12.3 visit/2.12.3
Large scale data analysis, visualization application  
R
3.4.1 r/3.4.1
Statistical analysis package  
GIMP
2.8.22 gimp/2.8.22
2.10.4 gimp/2.10.4
Image processing software  
gnuplot
5.0.6 gnuplot/5.0.6
5.2.4 gnuplot/5.2.4
5.4.1 gnuplot/5.4.1
5.4.3 gnuplot/5.4.3
Command-line driven multi platform plotting program  
tgif
4.2.5 tgif/4.2.5
Interactive 2D drawing tool  
ImageMagick
7.0.6 imagemagick/7.0.6
7.0.11-1 imagemagick/7.0.11-1
Displaying, converting, and editing raster image and vector image files.  
vmd
1.9.3 vmd/1.9.3
visualization software for MD  
turbovnc
2.2.2 turbovnc/2.2.2
VNC server software  
VirtualGL
2.6.2 turbovnc/2.2.2
remote rendering software  
ffmpeg
4.2.2 ffmpeg/4.2.2
audio/video converter  
Simulation software
GAMESS
apr202017r1 gamess/apr202017r1
Molecular orbital method program  
CP2K
4.1 cp2k/4.1
4.1-libint cp2k/4.1-libint
5.1_cuda cp2k/5.1_cuda
5.1-libint cp2k/5.1-libint
7.1.0 cp2k/7.1.0
8.1.0 cp2k/8.1.0
9.1.0 cp2k/9.1.0
2023.1 cp2k/2023.1
Electronic state calculation program  
QUANTUM ESPRESSO
6.8 quantumespresso/6.8
7.1 quantumespresso/7.1
Molecular dynamics program  
DeePMD-kit
2.1.5 deepmd-kit/2.1.5
Molecular dynamics program + machine learning  
GROMACS
4.6.7 gromacs/4.6.7
2016.3 gromacs/2016.3
2018.1 gromacs/2018.1
2019.4 gromacs/2019.4
2020.2 gromacs-deepmd/2020.2
2020.4 gromacs/2020.4
2021.3 gromacs/2021.3
2022 gromacs/2022
2023 gromacs/2023
master-20230413 gromacs/master-20230413
Molecular dynamics program

PLUMED is enabled in gromacs/2019.4 and gromacs/2020.4

DeePMD-kit is enabled in gromacs-deepmd/2020.2
LAMMPS
31mar2017 lammps/31mar2017
3mar2020 lammps/3mar2020
9oct2020 lammps/9oct2020
10feb2021 lammps/10feb2021
29sep2021_u2 lammps/29sep2021_u2
23jun2022_u1 lammps/23jun2022_u1
23jun2022_u2 lammps/23jun2022_u2
23jun2022_u3 lammps/23jun2022_u3
Molecular dynamics program lammps/23jun2022_u2 can use DeePMD-kit
NAMD
2.12 namd/2.12
2.12-20180711 namd/2.12-20180711
2.13 namd/2.13
2.13-20191210 namd/2.13-20191210
2.14b1 namd/2.14b1
2.14b2 namd/2.14b2
2.14 namd/2.14
2.15alpha1 namd/2.15alpha1
20220414 namd/20220414
3.0b2 namd/3.0b2
Molecular dynamics program  
Tinker
8.1.2 tinker/8.1.2
8.7.2 tinker/8.7.2
8.8.3 tinker/8.8.3
8.10.1 tinker/8.10.1
8.10.5 tinker/8.10.5
Molecular dynamics program  
OpenFOAM
4.1 openfoam/4.1
6.0 openfoam/6.0
7.0 openfoam/7.0
8.0 openfoam/8.0
9.0 openfoam/9.0
10.0 openfoam/10.0
Fluid / continuum simulation  
ESI OpenFOAM
v1906 openfoam-esi/v1906
v1912 openfoam-esi/v1912
v2012 openfoam-esi/v2012
v2112 openfoam-esi/v2112
v2212 openfoam/v2212
Fluid / continuum simulation  
linux container
Singularity
3.6.3 singularity/3.6.3
3.6.4 singularity/3.6.4
3.7.1 singularity/3.7.1
3.8.6 singularity/3.8.6
3.8.7 singularity/3.8.7
linux container for HPC  
apptainer
1.1.6 apptainer/1.1.6
linux container for HPC