Software: Różnice pomiędzy wersjami

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! Software !! Short description !! Loading environment
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! Software !! Short description !! Loading environment
 
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| Abaqus FEA
 
| Abaqus FEA
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| Amber
 
| Amber
| Amber is a molecular dynamics software package that simulates force fields for molecular dynamics of biomolecules
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| Amber is a molecular dynamics software package that simulates force fields for molecular dynamics of biomolecules.
 
| module load amber
 
| module load amber
 
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|-
 
| ANSYS Mechanical
 
| ANSYS Mechanical
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| The software offers a solution for structural linear or nonlinear and dynamics analysis, provides a set of elements behavior, material models and equation solvers for a wide range of engineering problems.
 
| module load ansys_mechanical
 
| module load ansys_mechanical
 
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| ANSYS CFX  
 
| ANSYS CFX  
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| The software is a general purpose fluid dynamics program with parallelized solver.
 
| module load cfx
 
| module load cfx
 
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|-  
 
| ANSYS Fluent
 
| ANSYS Fluent
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| The software contains the broad physical modeling capabilities needed to model flow, turbulence, heat transfer, and reactions.
 
| module load fluent
 
| module load fluent
 
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| APBS
 
| APBS
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| Software for evaluating the electrostatic properties of nanoscale biomolecular systems.
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| module load apbs
 
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| AutoDock
 
| AutoDock
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| A suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
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| module load autodock
 
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| AutoDock Vina
 
| AutoDock Vina
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| A program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy.
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| module load autodock_vina
 
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| Cfour
 
| Cfour
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| A package for performing high-level quantum chemical calculations on atoms and molecules, equipped with high-level ab initio methods for the calculation of atomic and molecular properties.
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| module load cfour
 
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| CPMD
 
| CPMD
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| The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
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| module load cpmd
 
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| CRYSTAL09
 
| CRYSTAL09
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|  
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| module load crystal09
 
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| Dalton
 
| Dalton

Wersja z 10:45, 30 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 The software offers a solution for structural linear or nonlinear and dynamics analysis, provides a set of elements behavior, material models and equation solvers for a wide range of engineering problems. module load ansys_mechanical
ANSYS CFX The software is a general purpose fluid dynamics program with parallelized solver. module load cfx
ANSYS Fluent The software contains the broad physical modeling capabilities needed to model flow, turbulence, heat transfer, and reactions. module load fluent
APBS Software for evaluating the electrostatic properties of nanoscale biomolecular systems. module load apbs
AutoDock A suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. module load autodock
AutoDock Vina A program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy. module load autodock_vina
Cfour A package for performing high-level quantum chemical calculations on atoms and molecules, equipped with high-level ab initio methods for the calculation of atomic and molecular properties. module load cfour
CPMD The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. module load cpmd
CRYSTAL09 module load 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