List of applications installed by the HPCI office (Published on 2024-12-25)
These applications listed below have been developed by national projects and were installed to some HPCI supercomputers. Every TSUBAME4.0 users can use these applications, but NO official support of the TSUBAME support team will be provided. Only HPCI users can receive the application support on HPCI Helpdesk. For non-HPCI users, please contact the application community directly.
As of October 2024, ABINIT-MP is available for use. A list of other applications scheduled to be released within FY2024 is also provided.
Table 1. Applications Currently Available on TSUBAME4.0
| Name | Version (Default version shown in bold) | Description | Official site, Details |
|---|---|---|---|
| ABINIT-MP | Open Ver.1 Rev.22 | A massively-parallel electronic structure calculation program based on the fragment molecular orbital (FMO) method | Official site, HPCI page |
Table 2. Applications Scheduled to Become Available on TSUBAME4.0 During FY2024
| Name | Version | Description | Official site, Details |
|---|---|---|---|
| GENESIS | 2.1.4 (CPU) 2.14 (GPU) | An open-source application for molecular dynamics simulation of biomolecules. | Official site, HPCI page |
| MODYLAS | 1.1.0 | MODYLAS is a highly parallelized general-purpose molecular dynamics (MD) simulation program appropriate for the very large physical, chemical, and biological systems. | Official site, HPCI page |
| SALMON | 2.2.1 (CPU) 2.2.1 (GPU) | Photo-excited electron dynamics simulator based on time-dependent density functional theory using real-time, real-space grids. | Official site, HPCI page |
| Phonopy | 2.27.0 | Software for Calculating Phonon-Related Physical Quantities from First-Principles Calculation Results of Solids | Official site, HPCI page |
| ALAMODE | 1.5.0 | ALAMODE is an open source software designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. | Official site, HPCI page |
| AkaiKKR | Cpa2021v02(CPU) Cpa2021v02(GPU) | AkaiKKR is a program package used for first-principles calculation of electronic structures of metals, semiconductors and compounds, in the framework of the local density approximation or generalized gradient approximation (LDA/GGA) of the density functional theory. | Official site, HPCI page |
| NTChem | 2024.01 | An application for molecular science simulation. This application covers not only traditional simulation methods implemented in existing applications but also a number of novel methods for quantum chemical calculation. | Official site, HPCI page |
| OpenMX | 3.9.9 | OpenMX is a first-principles software based on the pseudo-atomic localized basis functions. | Official site, HPCI page |
| PHASE/0 | 2024.01 | An electronic structure calculation program based on the density functional theory and the pseudopotential scheme with a plane wave basis set. | Official site, HPCI page |
| FrontISTR | 5.6 | Open-Source Large-Scale Parallel FEM Program for Nonlinear Structural Analysis | Official site, HPCI page |
| HΦ | 3.5.2 | A numerical solver package for a wide range of quantum lattice models including Hubbard-type itinerant electron hamiltonians, quantum spin models, and Kondo-type hamiltonians for itinerant electrons coupled with quantum spins. | Official site, HPCI page |
| SMASH | 3.0.2 | Open source software for massively parallel quantum chemistry calculations. Energies and geometries of nano-sized molecules can be calculated without fragmentation. | Official site, HPCI page |
| mVMC | 1.3.0 | A low-energy solver for a wide ranger of quantum lattice models by using variational Monte Carlo method. User can obtain high-accuracy wave functions for ground states of above models. | Official site, HPCI page |
| FFB (FrontFlow/blue) | 8.1 | Finite Element Method program for flow analysis based on Large Eddy Simulation | Official site, HPCI page |
| FFX (FrontFlow/X) | 3.01 | Fluid Analysis Software based on Lattice Boltzmann Method | HPCI page |
| FFVHC-ACE | 0.1 | Compressible flow LES analysis software | HPCI page |