Experimental Services

This is list of applications installed in TSUBAME3.0 experimentally. As it's experimental installation, NO official support will be provided. Support is provided under "best-effort" basis.

If you have question or request about applications listed here, please use regular TSUBAME3.0 contact forms. If you have software which makes lots of user happy, please don't hesitate to propose.

How to use

Use moudle command, like other applications installed in TSUBAME3.0.
Module names can be obtained by invoking "module avail".

List of applications

Name Description Details
Score-P Profiler/Tracer for investigating applications' bottlenek Doc
(In Japanese, Written for TSUBAME2)
Vampir Visualizer of trace files generated by Score-P
Scalasca Application profiler using Score-P
ExanaPkg Cache-line conflict simulator, memory locality and dynamic loop-call nest profilier Src
(github)
ParaView Paralell Version Visualization of big-data using ParaView pdf

HPhi
(*)

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.  
MODYLAS
 (*)
MODYLAS is a highly parallelized general-purpose molecular dynamics (MD) simulation program appropriate for very large physical, chemical, and biological systems.  
NTCHEM2013
(*)
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.   
OpenMX
(*)
OpenMX is a first-principles software based on the pseudo-atomic localized basis functions.   
SALMON 
(*)
Photo-excited electron dynamics simulator based on time-dependent density functional theory using real-time, real-space grids.   
SMASH 
(*)
Open source software for massively parallel quantum chemistry calculations. Energies and geometries of nano-sized molecules can be calculated without fragmentation.  

(*) These applicatons have been developed by national projects,
     and were installed to some HPCI supercomputers.