Quantum Espresso
Quantum ESPRESSO (QE) is a program package for ab-initio molecular dynamics (MD) simulations and electronic structure calculations. It is based on density-functional theory, plane waves, and pseudopotentials.
Quantum ESPRESSO (QE) is a program package for ab-initio molecular dynamics (MD) simulations and electronic structure calculations. It is based on density-functional theory, plane waves, and pseudopotentials.
SSHing directly to a compute node at OSC - even if that node has been assigned to you in a current batch job - and starting VNC is an "unsafe" thing to do. When your batch job ends (and the node is assigned to other users), stray processes will be left behind and negatively impact other users. However, it is possible to use VNC on compute nodes safely.
OSC offers online and in-person training for new and advanced users on a variety of high performance supercomputing topics.
OSC has partnered with The Ohio State University to offer online training courses that clients can complete at their own pace at any time on the ScarletCanvas platform, Ohio State's public learning management system.
The first two available courses are:
TurboVNC is an implementation of VNC optimized for 3D graphics rendering. Like other VNC software, TurboVNC can be used to create a virtual desktop on a remote machine, which can be useful for visualizing CPU-intensive graphics produced remotely.
The versions currently available at OSC are:
Gnuplot is a portable command-line driven data and function plotting utility. It was originally intended to allow scientists and students to visualize mathematical functions and data.
Python is a high-level, multi-paradigm programming language that is both easy to learn and useful in a wide variety of applications. Python has a large standard library as well as a large number of third-party extensions, most of which are completely free and open source.
ScaLAPACK is a library of high-performance linear algebra routines for clusters supporting MPI. It contains routines for solving systems of linear equations, least squares problems, and eigenvalue problems.
This page documents usage of the ScaLAPACK library installed by OSC from source. An optimized implementation of ScaLAPACK is included in MKL; see the software documentation page for Intel Math Kernel Library for usage information.
Fortran, C, and C++ compilers provided by the Portland Group.
OpenFOAM is a suite of computational fluid dynamics applications. It contains myriad solvers, both compressible and incompressible, as well as many utilities and libraries.
The following versions of OpenFOAM are available on OSC clusters:
MATLAB is a technical computing environment for high-performance numeric computation and visualization. MATLAB integrates numerical analysis, matrix computation, signal processing, and graphics in an easy-to-use environment where problems and solutions are expressed just as they are written mathematically--without traditional programming.