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'''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.
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'''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
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| ADF is a program for first-principles electronic structure calculations that make use of density functional theory (DFT).
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| module load adf
 
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| Amber
 
| Amber
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| Amber is a molecular dynamics software package that simulates force fields for molecular dynamics of biomolecules
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| module load amber
 
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| ANSYS Mechanical
 
| ANSYS Mechanical
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| module load ansys_mechanical
 
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| ANSYS CFX, Fluent
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| ANSYS CFX  
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| module load cfx
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| ANSYS Fluent
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| module load fluent
 
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| APBS
 
| APBS

Wersja z 15:12, 27 kwi 2012

< Supernova User Guide < Software

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