Applications Supported by HPCI

List of applications installed by the HPCI office (13 June 2019 update)

These applications listed below have been developed by national projects and were installed to some HPCI supercomputers. Every TSUBAME3.0 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.

(2019/06/13 update) New 5 applications (ABINIT-MP, FrontFlow/blue, FrontISTR, GENESIS, PHASE/0) are installed and 3 applications (HΦ, OpenMX, SALMON) are updated.
(2021/04/08 update) 9 applications are updated.

Name Version (Default version shown in bold) Description Official site, 
Details

HPhi

3.0.0
3.1.2
3.3.0
3.4.0
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
MODYLAS 1.0.4
1.1.0β
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
NTCHEM2013 2013-10.1
2013-11.1
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 3.8.3
3.8.5
3.9.2
OpenMX is a first-principles software based on the pseudo-atomic localized basis functions.  Official site
HPCI page
SALMON  1.0.0
1.2.0
1.2.1
Photo-excited electron dynamics simulator based on time-dependent density functional theory using real-time, real-space grids.  Official site
HPCI page
SMASH 2.2.0 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
ABINIT-MP Open Ver.1 Rev.10
Open Ver.1 Rev.15
Open Ver.1 Rev.22
Open Ver.2 Rev.4
A massively-parallel electronic structure calculation program based on the fragment molecular orbital (FMO) method Official site
HPCI page in Japanese
FrontFlow/blue 8.1 Finite Element Method program for flow analysis based on Large Eddy Simulation Official site
HPCI page in Japanese
FrontISTR 5.0a
5.0b
5.1.1
Open-Source Large-Scale Parallel FEM Program for Nonlinear Structural Analysis Official site
HPCI page in Japanese
GENESIS 1.3.0 (CPU)
1.3.0 (GPU)
1.5.1 (GPU)
An open-source application for molecular dynamics simulation of biomolecules. Official site
HPCI page in Japanese
PHASE/0 2018.01.01
2019.02
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 in Japanese