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< Supernova User Guide < Software
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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. |
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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