Software: Różnice pomiędzy wersjami

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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.
 
'''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.
  
{|
+
{|class="wikitable"
! Software !! Short description
+
! Software !! Short description !! Loading environment
 
|-
 
|-
 
| Abaqus FEA
 
| 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.
 
| 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
 
| 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.
 
| 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
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| Accelrys MS, DS  
|
+
| Materials Studio is a suite of modeling and simulation programs for material science.<br/>Discovery Studio is a suite of modeling and simulation programs for life sciences.
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|
 
|-
 
|-
 
| ADF
 
| ADF
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|
 
|
 
|
 
|-
 
|-
|| Amber
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| Amber
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|
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|
 
|-
 
|-
|| ANSYS Mechanical
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| ANSYS Mechanical
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|
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|
 
|-
 
|-
|| ANSYS CFX, Fluent
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| ANSYS CFX, Fluent
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|
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|
 
|-
 
|-
|| APBS
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| APBS
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|
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|
 
|-
 
|-
|| AutoDock
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| AutoDock
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|
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|
 
|-
 
|-
|| AutoDock Vina
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| AutoDock Vina
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|
 +
|
 
|-
 
|-
|| Cfour
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| Cfour
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|
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|
 
|-
 
|-
|| CPMD
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| CPMD
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|
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|-
 
|-
|| CRYSTAL09
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| CRYSTAL09
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|
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|
 
|-
 
|-
|| Dalton
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| Dalton
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|
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|
 
|-
 
|-
|| FDS-SMV
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| FDS-SMV
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|
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|
 
|-
 
|-
|| GAMESS
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| GAMESS
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|
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|
 
|-
 
|-
|| Gaussian
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| Gaussian
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|
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|
 
|-  
 
|-  
|| Gromacs
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| Gromacs
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|
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|
 
|-
 
|-
|| Hmmer
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| Hmmer
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|
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|
 
|-
 
|-
|| LAMMPS
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| LAMMPS
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|
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|
 
|-
 
|-
|| Lumerical FDTD, MODE
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| Lumerical FDTD, MODE
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|
 +
|
 
|-
 
|-
|| Mathematica
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| Mathematica
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|
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|
 
|-  
 
|-  
|| Matlab
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| Matlab
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|
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|
 
|-  
 
|-  
|| Meep
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| Meep
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|
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|
 
|-  
 
|-  
|| MOLCAS
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| MOLCAS
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|
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|
 
|-  
 
|-  
|| Molden  
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| Molden
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|
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|
 
|-
 
|-
|| Molpro  
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| Molpro  
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|
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|
 
|-
 
|-
|| MOPAC
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| MOPAC
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|
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|
 
|-
 
|-
|| NAMD
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| MPB
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|
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|
 
|-
 
|-
|| NWChem
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| NAMD
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|
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|
 
|-
 
|-
|| OpenFOAM
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| NWChem
 +
|
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|
 
|-
 
|-
|| Orca
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| OpenFOAM
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|
 +
|
 
|-
 
|-
|| R
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| Orca
 +
|
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|
 
|-
 
|-
|| Siesta
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| R
 +
|
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|
 
|-
 
|-
|| TURBOMOLE
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| Siesta
 +
|
 +
|
 
|-
 
|-
|| VMD
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| TURBOMOLE
 +
|
 +
|
 
|-
 
|-
|| Xaim
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| VMD
 +
|
 +
|
 +
|-
 +
| Xaim
 +
|
 +
|
 
|-
 
|-
 
|}
 
|}

Wersja z 14:51, 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.

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
Amber
ANSYS Mechanical
ANSYS CFX, 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