LS-PrePost
LS-PrePost is an advanced pre and post-processor that is delivered free with LS-DYNA.
Availability and Restrictions
Versions
The following versions of ls-prepost are available on OSC clusters:
Software
QGIS
QGIS is a user friendly Open Source Geographic Information System (GIS) licensed under the GNU General Public License. QGIS is an official project of the Open Source Geospatial Foundation (OSGeo). It runs on Linux, Unix, Mac OSX, Windows and Android and supports numerous vector, raster, and database formats and functionalities.
Availability and Restrictions
Versions
The following versions of QGIS are available on OSC clusters:
Gaussian
Gaussian is a very popular general purpose electronic structure program. Recent versions can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.
Gurobi
Gurobi is a mathematical optimization solver that supports a variety of programming and modeling languages.
Availability and Restrictions
Versions
The following versions of bedtools are available on OSC clusters:
LS-OPT
LS-OPT is a package for design optimization, system identification, and probabilistic analysis with an interface to LS-DYNA.
Availability and Restrictions
Versions
The following versions of ls-opt are available on OSC clusters:
PyTorch
PyTorch is an open source machine learning framework with GPU acceleration and deep neural networks that is based on the automatic differentiation in the Torch library of tensors.
CP2K
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as DFT using the mixed Gaussian and plane waves approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2, RPA, semi-empirical methods and classical force fields.
ORCA
ORCA is an ab initio quantum chemistry program package that contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA is developed in the research group of Frank Neese. Visit ORCA Forum for additional information.
Desmond
Desmond is a software package that perform high-speed molecular dynamics simulations of biological systems on conventional commodity clusters, general-purpose supercomputers, and GPUs. The code uses novel parallel algorithms and numerical techniques to achieve high performance and accuracy on platforms containing a large number of processors, but may also be executed on a single computer. Desmond includes code optimized for machines with an NVIDIA GPU.
ffmpeg
FFmpeg is a free software project, the product of which is a vast software suite of libraries and programs for handling video, audio, and other multimedia files and streams.
Availability and Restrictions
Versions
The following versions of FFmpeg are available on OSC clusters:
