⚠️⚠️⚠️運用終了したTSUBAME3のページです⚠️⚠️⚠️

TSUBAME4.0のWebサイトはこちら

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.

NameOverviewGPU compatibleVersionNo. of licensesRemarks
Development Environment, Library
Intel Compiler(Intel Parallel Studio XE Cluster Edition)Intel development environment 
2016update4intel/16.0.4.258
2017update4intel/17.0.4.196
2017update5intel/17.0.5.239
2018update1intel/18.0.1.163
2019update0intel/19.0.0.117
2020update0intel/19.1.0.166
2020update1intel/19.1.1.217
2020update4intel/19.1.3.304
2021.1intel/21.1.1
2021.2intel/21.2.0
2021.5intel/21.5.0
2023.0intel/23.0.0
5intel oneAPI since 2021.1
PGI CompilerPGI compiler○
17.5pgi/17.5
17.10pgi/17.10
18.1pgi/18.1
18.7pgi/18.7
19.1pgi/19.1
19.7pgi/19.7
20.1pgi/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 SDKsuccessor to the PGI compiler○
20.9nvhpc/20.9
21.2nvhpc/21.2
21.7nvhpc/21.7
22.2nvhpc/22.2
23.1nvhpc/23.1
23.7nvhpc/23.7
  
Arm Forge (Previously: Allinea Forge)Integrated Development environment（debug, profiling, optimisation, coding, build) 
7.0.5forge/7.0.5
allinea/7.0.5
18.0.1forge/18.0.1
19.0.5forge/19.0.5
20.0.3forge/20.0.3
21.0.0forge/21.0.0
21.1.3forge/21.1.3
22.1.3forge/22.1.3
32 concurrent 
64 parallels		 
CUDACUDA compiler 
8.0.44cuda/8.0.44
8.0.61cuda/8.0.61
9.0.176cuda/9.0.176
9.1.85cuda/9.1.85
9.2.148cuda/9.2.148
10.0.130cuda/10.0.130
10.1.105cuda/10.1.105
10.2.89cuda/10.2.89
11.0.194cuda/11.0.194
11.0.3cuda/11.0.3
11.2.146cuda/11.2.146
11.5.0cuda/11.5.0
11.6.1cuda/11.6.1
11.6.2cuda/11.6.2
12.1.0cuda/12.1.0
 versions of later than cuda/11.0.3 are working under CUDA driver 11.0.3 with CUDA Comptibility Platform.
CuDNNNVIDIA CUDA® Deep Neural Network library (CuDNN)○
5.1cudnn/5.1
6.0cudnn/6.0
7.0cudnn/7.0
7.1cudnn/7.1
7.6cudnn/7.6
8.1cudnn/8.1
8.3cudnn/8.3
8.8.1cudnn/8.8.1
  
NCCLNVIDIA Collective Communications Library (NCCL)○
1.3.4nccl/1.3.4
2.1nccl/2.1
2.2.13nccl/2.2.13
2.4.2nccl/2.4.2
2.8.4nccl/2.8.4
2.12.7nccl/2.12.7
2.17.1nccl/2.17.1
  
intel MPIintel MPI library 
17.3.196intel-mpi/17.3.196
17.4.239intel-mpi/17.4.239
18.1.163intel-mpi/18.1.163
19.0.117intel-mpi/19.0.117
19.6.166intel-mpi/19.6.166
19.7.217intel-mpi/19.7.217
19.9.304intel-mpi/19.9.304
21.1.1intel-mpi/21.1.1
21.2.0intel-mpi/21.2.0
21.5.1intel-mpi/21.5.1
21.8.0intel-mpi/21.8.0
 intel oneAPI since 21.1.1
mptsgi mpt MPI library 
2.16mpt/2.16
  
Numerical analysis / Visualization
MathematicaMathematical symbolic computation programP100 not supported
11.1.1mathematica/11.1.1
11.2mathematica/11.2.0
11.3.0mathematica/11.3.0
12.0.0mathematica/12.0.0
12.1.0mathematica/12.1.0
12.1.1mathematica/12.1.1
12.2.0mathematica/12.2.0
13.1.0mathematica/13.1.0
13.2.1mathematica/13.2.1
13.3.0mathematica/13.3.0
13.3.1mathematica/13.3.1
unlimited 
MapleMathematical software package○
2019.1maple/2019.1
2019.2.1maple/2019.2.1
2020.1maple/2010.1
2021.1maple/2021.1
1 
MATLABMulti-paradigm numerical computing environment○
R2017amatlab/R2017a
R2017bmatlab/R2017b
R2018amatlab/R2018a
R2018bmatlab/R2018b
R2017a u3matlab/R2017a_u3
R2017b u9matlab/R2017b_u9
R2018a u6matlab/R2018a_u6
R2019amatlab/R2019a
R2019bmatlab/R2019b
R2020amatlab/R2020a
R2020bmatlab/R2020b
R2021amatlab/R2021a
R2021bmatlab/R2021b
R2022amatlab/R2022a
R2022bmatlab/R2022b
R2023amatlab/R2023a
R2023bmatlab/R2023b
unlimited 
AVS/ExpressVisualzation software 
8.4avs/8.4
8.5avs/8.5
20 
AVS/Express PCEParallelizable visualization software, Parallel Cluster Edition (PCE) of AVS/Express 
8.4avs/8.4
1 
Simulation Software
ANSYSAnalysis software package forcused on finite element method CAEFluent:○
18.1ansys/R18.1
18.2ansys/R18.2
19.0ansys/R19.0
19.3ansys/R19.3
19.4ansys/R19.4
19.5ansys/R19.5
20.1ansys/R20.1
20.2ansys/R20.2
21.1ansys/R21.1
22.1ansys/R22.1
22.2ansys/R22.2
23.1ansys/R23.1
23.2ansys/R23.2
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"
ABAQUSfinite element analysis software○
2017abaqus/2017
2020abaqus/2020
2021abaqus/2021
2022abaqus/2022
2023abaqus/2023
500 token
(140token/1user)		 
ABAQUS CAEComplete solutions for Abaqus finite element modeling, visualization, and process automation 
2017abaqus/2017
2020abaqus/2020
2021abaqus/2021
2022abaqus/2022
10 token 
MSC OneAnalysis software package forcused on finite element method CAENastran:○
2017dytran/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

marc_mentat/2023.2

marc_mentat/2023.3

marc_mentat/2023.4

nastran/2023.1

nastran/2023.2

nastran/2023.3

nastran/2023.4

patran/2023.1

patran/2023.2

patran/2023.3

patran/2023.4

dytran/2023.1

dytran/2023.2

770 token
including Nastran, Patran, Apex, Dytran, Marc/Mentat		 
GaussianGeneral purpose computational chemistry software packageP100 not supported
16 A.03gaussian16/A03
16 B.01gaussian16/B01
16 B.01gaussian16/B01_gpu
16 C.01gaussian16/C01_cpu
16 C.01gaussian16/C01_gpu
unlimited 
Gauss ViewGrafical interface used with Gaussian 
6gaussview/6
unlimited 
AMBERMolecular dynamics program○
16amber/16
16cudaamber/16_cuda
16up10amber/16up10
16up10cudaamber/16up10_cuda
16up12cudaamber/16up12_cuda
18up5amber/18up5
18up12amber/18up12
20up0amber/20up0
20up08amber/20up08
22up0amber/22up0
22up0amber/22up0_at22up3
22up04amber/22up04_at23up03
unlimited 
Materials StudioModeling simulation environment for materials science 

2017 R2

2018

2020

2021

2022

2023

20 token 
Discovery StudioModeling simulation environment for life science 

2017 R2

2018

2020

2021

2022

20 token 
LS-DYNAGeneral purpose nonlinear structure analysis software 
R9.1.0lsdyna/R9.1.0
R9.3.1lsdyna/R9.3.1
R10.1.0lsdyna/R10.1.0
R10.2.0lsdyna/R10.2.0
R11.1.0lsdyna/R11.1.0
16 
COMSOL MultiphysicsGeneral purpose engineering simulation software based on finite element method 
5.3.0.260comsol/53
5.3.1.180comsol/53a
5.3.1.201comsol/53a_u1
5.3.1.229comsol/53a_u2
5.3.1.275comsol/53a_u3
5.3.1.348comsol/53a_u4
5.4.0.225comsol/54
5.4.0.246comsol/54_u1
5.4.0.346comsol/54_u3
5.4.0.388comsol/54_u4
5.5.0.292comsol/55
5.5.0.306comsol/55_u1
5.5.0.352comsol/55_u2
5.5.0.359comsol/55_u3
5.6.0.280comsol/56
5.6.0.341comsol/56_u1
5.6.0.401comsol/56_u2
6.0.0.318comsol/60_u0
6.0.0.354comsol/60_u1
6.0.0.405comsol/60_u2
6.1.0.252comsol/61
6.1.0.346comsol/61_u2
6.2.0.278comsol/62
2Includes the following modules (AC/DC, RF, wave optics, plasma, heat transfer, structure mechanics, CFD, CAD import)
Schrodinger Small-Molecule Drug Discovery Suitemodeling simulation software package for low molecule drug discovery 
2017-2schrodinger/Feb-17
2020-2schrodinger/2020-2
2021-1schrodinger/2021-1
2The version that supports the current system's OS, SLESLES12 SP4, will not be available until 2020-2.

Free software

NameVersionOverviewRemarks
Machine Learning, Deep Learning Flamework
Caffe
1.0caffe/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
4.3.0chainer/4.3.0
5.2.0chainer/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
1.9.0tensorflow/1.9.0
1.12.0tensorflow/1.12.0
2.4.1tensorflow/2.4.1
2.8.0tensorflow/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
2.0.0alphafold/2.0.0
2.1.1alphafold/2.1.1
2.2.0alphafold/2.2.0
2.3.0alphafold/2.3.0
Protein structure prediction program with using machine learning developed by DeepMindOfficial site
Development Environment, Library, Tools
OpenMPI
2.1.2-opa10.9openmpi/2.1.2-opa10.9
2.1.2-opa10.9-t3openmpi/2.1.2-opa10.9-t3
2.1.2-opa10.9-thread-multipleopenmpi/2.1.2-opa10.9-thread-multiple
3.1.4-opa10.10openmpi/3.1.4-opa10.10
3.1.4-opa10.10-t3openmpi/3.1.4-opa10.10-t3
4.0.7openmpi/4.0.7
4.0.7-t3openmpi/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
2.8.0hadoop/2.8.0
Distributed processing middleware for large-scale data 
openjdk
1.8.0.242openjdk/1.8.0.242
Java development environment 
PETSc
3.7.6　realpetsc/3.7.6/real
3.7.6 complexpetsc/3.7.6/complex
3.9.3 realpetsc/3.9.3/real
3.9.3 complexpetsc/3.9.3/complex
3.14.5 realpetsc/3.14.5/real
3.14.5 complexpetsc/3.14.5/complex
Library group for science and technology calculation 
fftw
2.1.5fftw/2.1.5
3.3.6fftw/3.3.6
3.3.8fftw/3.3.8
3.3.9fftw/3.3.9
3.3.10fftw/3.3.10
discrete Fourier Transform (DFT) library 
Performance API (PAPI) Library
5.5.1papi/5.5.1
API library for hardware counter analysis of CPU and GPU 
python
3.6.5python/3.6.5
3.8.3python/3.8.3
3.9.2python/3.9.2
3.10.2python/3.10.2
3.11.2python/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
8.1vim/8.1
text editor 
emacs
28.2emacs/28.2
text editor 
ninja
1.10.0ninja/1.10.0
build tool 
HDF5
1.10.1hdf5/1.10.1
1.10.5hdf5-parallel/1.10.5
1.12.0hdf5-parallel/1.12.0
I/O library 
NetCDF
4.7.0netcdf-parallel/4.7.0
4.7.4netcdf-parallel/4.7.4
I/O library 
Numerical analysis / Visualization
ParaView
5.0.1paraview/5.0.1
5.4.0paraview/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
3.7.0.3pov-ray/3.7.0.3
Visualization application 
VisIt
2.12.3visit/2.12.3
Large scale data analysis, visualization application 
R
3.4.1r/3.4.1
Statistical analysis package 
GIMP
2.8.22gimp/2.8.22
2.10.4gimp/2.10.4
Image processing software 
gnuplot
5.0.6gnuplot/5.0.6
5.2.4gnuplot/5.2.4
5.4.1gnuplot/5.4.1
5.4.3gnuplot/5.4.3
Command-line driven multi platform plotting program 
tgif
4.2.5tgif/4.2.5
Interactive 2D drawing tool 
ImageMagick
7.0.6imagemagick/7.0.6
7.0.11-1imagemagick/7.0.11-1
Displaying, converting, and editing raster image and vector image files. 
vmd
1.9.3vmd/1.9.3
visualization software for MD 
turbovnc
2.2.2turbovnc/2.2.2
VNC server software 
VirtualGL
2.6.2turbovnc/2.2.2
remote rendering software 
ffmpeg
4.2.2ffmpeg/4.2.2
audio/video converter 
Simulation software
GAMESS
apr202017r1gamess/apr202017r1
Molecular orbital method program 
CP2K
4.1cp2k/4.1
4.1-libintcp2k/4.1-libint
5.1_cudacp2k/5.1_cuda
5.1-libintcp2k/5.1-libint
7.1.0cp2k/7.1.0
8.1.0cp2k/8.1.0
9.1.0cp2k/9.1.0
2023.1cp2k/2023.1
Electronic state calculation program 
QUANTUM ESPRESSO
6.8quantumespresso/6.8
7.1quantumespresso/7.1
Molecular dynamics program 
DeePMD-kit
2.1.5deepmd-kit/2.1.5
Molecular dynamics program + machine learning 
GROMACS
4.6.7gromacs/4.6.7
2016.3gromacs/2016.3
2018.1gromacs/2018.1
2019.4gromacs/2019.4
2020.2gromacs-deepmd/2020.2
2020.4gromacs/2020.4
2021.3gromacs/2021.3
2022gromacs/2022
2023gromacs/2023
master-20230413gromacs/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
31mar2017lammps/31mar2017
3mar2020lammps/3mar2020
9oct2020lammps/9oct2020
10feb2021lammps/10feb2021
29sep2021_u2lammps/29sep2021_u2
23jun2022_u1lammps/23jun2022_u1
23jun2022_u2lammps/23jun2022_u2
23jun2022_u3lammps/23jun2022_u3
Molecular dynamics programlammps/23jun2022_u2 can use DeePMD-kit
NAMD
2.12namd/2.12
2.12-20180711namd/2.12-20180711
2.13namd/2.13
2.13-20191210namd/2.13-20191210
2.14b1namd/2.14b1
2.14b2namd/2.14b2
2.14namd/2.14
2.15alpha1namd/2.15alpha1
20220414namd/20220414
3.0b2namd/3.0b2
Molecular dynamics program 
Tinker
8.1.2tinker/8.1.2
8.7.2tinker/8.7.2
8.8.3tinker/8.8.3
8.10.1tinker/8.10.1
8.10.5tinker/8.10.5
Molecular dynamics program 
OpenFOAM
4.1openfoam/4.1
6.0openfoam/6.0
7.0openfoam/7.0
8.0openfoam/8.0
9.0openfoam/9.0
10.0openfoam/10.0
Fluid / continuum simulation 
ESI OpenFOAM
v1906openfoam-esi/v1906
v1912openfoam-esi/v1912
v2012openfoam-esi/v2012
v2112openfoam-esi/v2112
v2212openfoam/v2212
Fluid / continuum simulation 
linux container
Singularity
3.6.3singularity/3.6.3
3.6.4singularity/3.6.4
3.7.1singularity/3.7.1
3.8.6singularity/3.8.6
3.8.7singularity/3.8.7
linux container for HPC 
apptainer
1.1.6apptainer/1.1.6
linux container for HPC