|
|
General software and libraries (Hexagon)
From Hpcdoc
Full up to date list is available at NOTUR
Application software by discipline:
Bio-informatics
| Software | Version | Module | Resources | Notes
|
| NAMD | 2.8b1 | namd | Homepage | Recommended env variables (loaded with module): export MPICH_PTL_SEND_CREDITS=-1
export MPICH_MAX_SHORT_MSG_SIZE=8000
export MPICH_PTL_UNEX_EVENTS=100000
export MPICH_UNEX_BUFFER_SIZE=100M
aprun -n $PBS_NNODES -cc cpu namd2
Use Support for support.
|
| MEME | 4.4.0 | meme | Homepage | NOTE: linking was forced on this installation. Please compare output with previous (non-forced) runs for correctness.
Use Support for support.
|
Chemistry
| Software | Version | Module | Resources | Notes
|
| ADF | NA | NA | NA | Not supported on Hexagon
|
| Daulton | User installation | NA | NA | Use Support for support
|
| Gamess | NA | NA | NA | Not supported on Hexagon
|
| Gaussian | NA | NA | NA | Not supported on Hexagon
|
| Molpro | NA | NA | NA | Not supported on Hexagon
|
| NWChem | 5.1.1 | nwchem-cnl | | The module sets necessary variables
|
| VASP | User installation | NA | NA | Use Support for support
|
Fluid dynamics
| Software | Version | Module | Resources | Notes
|
| OpenFOAM | 1.5, 1.6, 1.7.1 | openfoam | Homepage | Limited amount of solvers are available due to static linking
|
Geosciences
| Software | Version | Module | Resources | Notes
|
| BOM | User installation | NA | Bergen Ocean Model | Use Support for support
|
| EnKF | User installation | NA | | Use Support for support
|
| HYCOM | User installation | NA | Homepage | Use Support for support
|
| MYCOM | User installation | NA | MICOM group homepage Parallel MICOM page | Use Support for support
|
| NCL | 5.1.1, 5.2 | ncl_ncarg | | Default version is aprun compatible. If you are missing some features, you can use ncl_ncarg/##-login version
|
| NCO | 3.9.6, 4.0.0 | nco-cnl | |
|
| ROMS | User installation | NA | Homepage | Use Support for support
|
| UDUNITS2 | 2.1.7 | udunits-cnl | |
|
| WPS | 3.0.1, 3.1, 3.1.1, 3.2, 3.2.1, 3.3 | WPS-cnl | WPS site | NOTE: some results can be different (it depends on the input files) if WRF module is loaded. In this case please ensure that WRF module is not loaded
|
| WRF | 2.2.1, 3.0.1.1, 3.1, 3.1.1, 3.2, 3.2.1, 3.3 | WRF-cnl | WRF site |
|
| WRF (special version) | 3.1.1, 3.2 | WRFquiet-cnl | | This version of WRF is not producing rsl* files during execution, but send all output to STDOUT&STDERR. You can use this module to avoid producing big amount of rsl files.
Remember! aprun wrf.exe > /dev/null
|
| WRFDA | 3.1.1, 3.2 | WRFDA | |
|
| WRFNL | 3.2 | WRFNL | |
|
| WRFPLUS | 3.2 | WRFPLUS | |
|
| WRFchem | 3.0.1.1, 3.1, 3.1.1, 3.2, 3.2.1, 3.3 | WRFchem-cnl | WRFchem site |
|
| WRFpolar-cnl | 3.1.1 | WRFpolar-cnl | |
|
Performance libraries
Scientific data libraries
General
| Software | Version | Module | Resources | Notes
|
| Matlab | 2007b, 2008b, 2009a | matlab | | Can not be run on compute nodes, therefore must be used only to preview some data, but not massive calculations
|
| Gnuplot | 4.2.5 | gnuplot-login | |
|
| Perl | 5.8.8 | perl-cnl | |
|
| Python | 2.6.2, 2.6.5 | python-cnl | | Version 2.6.2 is statically linked and contains only essential Python modules, numpy, netCDF4, Cython, mpi4py
Version 2.6.5 is dynamically linked, contains mostly all Python modules, NumPy, netCDF4, SciPy, Matplotlib, lxml, pyYaml
|
| GSL | 1.11 | gsl-cnl | |
|
| Paraview | 3.6.1 | paraview-cnl, paraview-login | | Statically compiled, supports only pvbatch, with MPI enabled
|
| Trilinos | System | trilinos | http://trilinos.sandia.gov/index.html |
|
|