Application software

(As of 1 May. 2018)

ISV application

As TSUBAME 2, applications other than compilers, debuggers, and Gaussian can only be used by users belonging to Tokyo Institute of Technology.

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/
2017update4 intel/
2017update5 intel/
2018update1 intel/
PGI Compiler PGI compiler
17.5 pgi/17.5
17.10 pgi/17.10
18.1 pgi/18.1


Allinea FORGE Integrated Development environment(debug, profiling, optimisation, coding, build)  
7.0.5 forge/7.0.5
18.0.1 forge/18.0.1
32 concurrent 
64 parallels
CuDNN NVIDIA CUDA® Deep Neural Network library (CuDNN)
5.1 cudnn/5.1
6.0 cudnn/6.0
7.0 cudnn/7.0
NCCL NVIDIA Collective Communications Library (NCCL)
1.3.4 nccl/1.3.4
2.1 nccl/2.1
Numerical analysis / Visualization
Mathematica Mathematical symbolic computation program P100 not supported
11.1.1 mathematica/11.1.1
11.2 mathematica/11.2.0
Maple Mathematical software package
2016.2 maple/2016.2
MATLAB Multi-paradigm numerical computing environment
R2017a matlab/R2017a
R2017b matlab/R2017b
R2018a matlab/R2018a
AVS/Express Visualzation software  
8.4 avs/8.4
AVS/Express PCE Parallelizable visualization software, Parallel Cluster Edition (PCE) of AVS/Express  
8.4 avs/8.4
Simulation Software
ANSYS Analysis software package forcused on finite element method CAE Fluent:○
18.1 ansys/R18.1
18.2 ansys/R18.2
50 token(Mechanical$CFD, Electronics Suite)
256 token(HPC)
Although originally only fluent, then Mechanical was added and T3 also includes electromagnetic analysis package.
ABAQUS finite element analysis software
2017 abaqus/2017
500 token
ABAQUS CAE Complete solutions for Abaqus finite element modeling, visualization, and process automation  
2017 abaqus/2017
10 token  
MSC One Analysis software package forcused on finite element method CAE Nastran:○







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
Gauss View Grafical interface used with Gaussian  
6 gaussview/6
AMBER Molecular dynamics program
16 amber/16
16cuda amber/16_cuda
16up10 amber/16up10
16up10cuda amber/16up10_cuda
16up12cuda amber/16up12_cuda
Materials Studio Modeling simulation environment for materials science   2017 R2 20 token  
Discovery Studio Modeling simulation environment for life science   2017 R2 20 token  
LS-DYNA General purpose nonlinear structure analysis software  
R9.1.0 lsdyna/R9.1.0
COMSOL Multiphysics General purpose engineering simulation software based on finite element method comsol/53 comsol/53a comsol/53a_u1 comsol/53a_u2 comsol/53a_u3
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

Free software

Name Version Overview Remarks
Machine Learning, Deep Learning Flamework
Caffe 1.0 Deep Learning framework developed by Berkeley AI Research (BAIR). Supported Python, C++. Official site
Chainer 2.0.0 Deep Learning framework developed by Preferred Networks. Supported Python. Official site
TensorFlow 1.2.1 Deep Learning framework developed by Google. Supported Python, C++ Official site
Development Environment, Library, Tools
Apache Hadoop 2.8.0 Distributed processing middleware for large-scale data  
Java SDK 1.8.0_131 Java development environment  
PETSc 3.7.6 Library group for science and technology calculation  
fftw 2.1.5 discrete Fourier Transform (DFT) library  
Performance API (PAPI) Library 5.5.1 API library for hardware counter analysis of CPU and GPU  
python 3.6.5 python development environment  
Numerical analysis / Visualization
ParaView 5.0.1 Large scale data analysis, visualization application  
POV-Ray  Visualization application  
VisIt 2.12.3 Large scale data analysis, visualization application  
R 3.4.1 Statistical analysis package  
GIMP 2.8.22 Image processing software  
gnuplot 5.0.6 Command-line driven multi platform plotting program  
tgif 4.2.5 Interactive 2D drawing tool  
ImageMagick 7.0.6 Displaying, converting, and editing raster image and vector image files.  
Simulation software
GAMESS apr202017r1 Molecular orbital method program  
CP2K 4.1 Electronic state calculation program  
GROMACS 2016.3 Molecular dynamics program  
LAMMPS 31mar2017 Molecular dynamics program  
NAMD 2.12 Molecular dynamics program  
Tinker 8.1.2 Molecular dynamics program  
OpenFOAM 4.1 Fluid / continuum simulation