Software: Różnice pomiędzy wersjami
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{{note|this page is work in progress}} | {{note|this page is work in progress}} | ||
| − | '''Scientific software''' installed and available to users on [[Supernova overview|Supernova]]. Some of the applications may require from users additional steps before using the software, like registration or acquiring a user license. | + | '''Scientific software''' installed and available to users on [[Supernova overview|Supernova]]. Some of the applications may require from users additional steps before using the software, like registration or acquiring a user license. Some applications have limited licenses (e.g. tokens for N concurrent jobs, for M concurrent users). |
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|- | |- | ||
| ADF | | ADF | ||
| − | | | + | | ADF is a program for first-principles electronic structure calculations that make use of density functional theory (DFT). |
| − | | | + | | module load adf |
|- | |- | ||
| Amber | | Amber | ||
| − | | | + | | Amber is a molecular dynamics software package that simulates force fields for molecular dynamics of biomolecules |
| − | | | + | | module load amber |
|- | |- | ||
| ANSYS Mechanical | | ANSYS Mechanical | ||
| − | | | + | | |
| − | | | + | | module load ansys_mechanical |
|- | |- | ||
| − | | ANSYS CFX | + | | ANSYS CFX |
| − | | | + | | |
| − | | | + | | module load cfx |
| + | |- | ||
| + | | ANSYS Fluent | ||
| + | | | ||
| + | | module load fluent | ||
|- | |- | ||
| APBS | | APBS | ||
Wersja z 13:12, 27 kwi 2012
< Supernova User Guide < Software
| ! | this page is work in progress |
Scientific software installed and available to users on Supernova. Some of the applications may require from users additional steps before using the software, like registration or acquiring a user license. Some applications have limited licenses (e.g. tokens for N concurrent jobs, for M concurrent users).
| Software | Short description | Loading environment |
|---|---|---|
| Abaqus FEA | SIMULIA Abaqus FEA (formerly ABAQUS) is a suite of software applications for finite element analysis and computer-aided engineering. WCSS has 25 license tokens shared by modules: Standard, Explicit, Foundation, Aqua, Design, CFD, AMS, Euler Lagrange, Multiphysics, CSE, Cosim Acusolve, Cosim Direct. | module load abaqus |
| ABINIT | An open-source suite of programs for materials science (GNU GPL). ABINIT implements density functional theory, using a plane wave basis set and pseudopotentials, to compute the electronic density and derived properties of materials ranging from molecules to surfaces to solids. | module load abinit |
| Accelrys MS, DS | Materials Studio is a suite of modeling and simulation programs for material science. Discovery Studio is a suite of modeling and simulation programs for life sciences. |
|
| ADF | ADF is a program for first-principles electronic structure calculations that make use of density functional theory (DFT). | module load adf |
| Amber | Amber is a molecular dynamics software package that simulates force fields for molecular dynamics of biomolecules | module load amber |
| ANSYS Mechanical | module load ansys_mechanical | |
| ANSYS CFX | module load cfx | |
| ANSYS Fluent | module load fluent | |
| APBS | ||
| AutoDock | ||
| AutoDock Vina | ||
| Cfour | ||
| CPMD | ||
| CRYSTAL09 | ||
| Dalton | ||
| FDS-SMV | ||
| GAMESS | ||
| Gaussian | ||
| Gromacs | ||
| Hmmer | ||
| LAMMPS | ||
| Lumerical FDTD, MODE | ||
| Mathematica | ||
| Matlab | ||
| Meep | ||
| MOLCAS | ||
| Molden | ||
| Molpro | ||
| MOPAC | ||
| MPB | ||
| NAMD | ||
| NWChem | ||
| OpenFOAM | ||
| Orca | ||
| R | ||
| Siesta | ||
| TURBOMOLE | ||
| VMD | ||
| Xaim |
< Supernova User Guide < Software