|
| Code |
version |
directory |
Notes |
| CAM |
3.1 |
/CHPC/usr/local/cam3.1 |
CAM-3.1 is a software engineering release.Its a successor of CAM version 3.0. To see new features of this code, click HERE and to see the script for running CAM in the Sun, e1350 and BG/P systems, click HERE. |
| CAM-EULAG |
3.1 |
/CHPC/usr/local/cam3.1 |
EULAG(Improved version of CAM3.1) is a non-hydrostatic, parallel computational model for all-scale geophysical flows. For more info about this code, click HERE and and to see the script for running CAM-EULAG in the Sun, e1350 and BG/P systems, click HERE. |
| DL_poly |
2.18 |
/CHPC/usr/local/dl_poly_2.18 |
A general purpose serial and parallel Molecular dynamic simulation package,This version of Dl_poly has a wider range of structure optimisation features to help with setting up the starting configuration, for more info about this code click HERE and to see the script for running DL_poly_2.18 in the Sun, e1350 and BG/P systems, click HERE. |
| DL_poly |
3.07 |
/CHPC/usr/local/dl_poly_3.07 |
A general purpose serial and parallel Molecular dynamic simulation package. For more info about new features of Dl_poly_3, please click HERE and and to see the script for running DL_poly_3 in the Sun, e1350 and BG/P systems, click HERE. |
| RegCM3 |
3 |
/CHPC/usr/local/RegCM |
RegCM3 is a 3-dimensional, sigma-coordinate, primitive equation regional climate model. To download the source code, click HERE and to see the script for running RegCM3 in the Sun, e1350 and BG/P systems, click HERE . |
| ROMS |
|
/CHPC/usr/local/ROMS |
The Regional Ocean Modeling System is widely used by the scientific community for a diverse range of applications.For more information about this code click HERE and to see the script for running ROMS in the Sun, e1350 and BG/P systems, click HERE. |
| WRF |
|
Per user license |
The Weather Research and Forecasting Model is mesoscale numerical weather prediction system designed to serve both operational forecasting and atmospheric research needs. For more info about this model click HERE and to see the script for running WRF in the Sun, e1350 and BG/P systems, click HERE. |
| WRF/CHEM |
|
Per user license |
The WRF model together with Chemistry provides the capability to simulate chemistry and aerosols from cloud scales to regional scales. For more info about this code click HERE and to see the script for running WRF/CHEM in the Sun, e1350 and BG/P systems, click HERE . |
| Gromacs |
0.8.3 |
/CHPC/usr/local/gromacs |
Gromacs is a package used to perform moleculer dynamic, it supports all algorithms. For more information about this code click HERE. |
| PLPLOT |
5.9.5 |
/CHPC/usr/local/plplot |
PLPLOT is a cross-platform software package for creating scientific plots, more information click HERE. |
|
|
| Code |
version |
directory |
Notes |
| ABINIT |
6.0.3 |
/CHPC/usr/local/BGP/abinit-6.0.3 |
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within density functional theory (DFT) using pseud. For more info about this package click HERE. |
| FFTW |
3.2.2 |
/CHPC/usr/local/BGP/fftw-3.2.2-double |
FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size and both real and complex data as well as of even/odd data, i.e the discrete cosine/sine transforms. For more info about this libraries click HERE. |
| GROMACS |
4.0.7 |
/CHPC/usr/local/BGP/gromacs-4.0.7 |
Classical molecular dynamics, i.e simulate the newtonian equations of motion for systems with hundreds to millions of particle. It is primarily designed for biomolecular systems such as proteins and lipids. For more info about this code click HERE and to see the script for running GROMACS in the Sun, e1350 and BG/P systems, click HERE. |
| VASP |
4.6 |
Per user license |
VASP is an ab-inition quantum-mechanical molecular dynamics (MD) using pseudopotentials and plane wave basis set. For more info about this code click HERE and to see the script for running VASP in the Sun, e1350 and BG/P systems, click HERE. |
| DL_poly |
3.07 and 3.09 |
/CHPC/usr/local/BGP/dlpoly |
A general purpose serial and parallel Molecular dynamic simulation package,This version of Dl_poly has a wider range of structure optimisation features to help with setting up the starting configuration, for more info about this code click HERE and to see the script for running DL_poly_3.07 and 3.09 in the Sun, e1350 and BG/P systems, click HERE. |
|
| Code |
version |
directory |
Notes |
| GROMACS |
4.0.5 |
/opt/gridware/gromacs |
A molecular dynamics package primarily designed for biomolecular. For more information, click HERE. |
| DL_poly |
3.07, 2.18 |
/opt/gridware/dlpoly |
A general purpose serial and parallel Molecular dynamic simulation package,This version of Dl_poly has a wider range of structure optimisation features to help with setting up the starting configuration, for more info about this code click HERE and to see the script for running DL_poly_3.07 and 2.18 in the Sun, e1350 and BG/P systems, click HERE. |
| EMBOSS |
6.2.0 |
/opt/gridware/EMBOSS |
EMBOSS is an open source software package developed to meet the needs of molecular biology community.For more information about this package, click HERE. |
| ATLAS |
3.9 |
/opt/gridware/atlas3.9 |
ATLAS is an Automatically Tuned Linear Algebra Software. For more information about this software, click HERE. |
| GAUSSIAN |
g09 |
/opt/gridware/gaussian |
Gaussian is a structure calculation software. For more information about this software, click HERE and to see the script for running GAUSSIAN in the Sun, e1350 and BG/P systems, click HERE. |
| SEADAS |
6.1 |
/opt/gridware/SeaDas |
SEADAS is a comprehensive image analysis package. For more information about this package, click HERE. |
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