Quantum ESPRESSO 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.
STAR-CCM+ provides the world’s most comprehensive engineering physics simulation inside a single integrated package. Much more than a CFD code, STAR‑CCM+ provides an engineering process for solving problems involving flow (of fluids and solids), heat transfer and stress. STAR‑CCM+ is unrivalled in its ability to tackle problems involving multi‑physics and complex geometries. Support is provided by CD-adapco. CD-adapco usually releases new version of STAR-CCM+ every four months.
MPJ-Express is a Java library that provides message passing capabilities for parallel computing in Java applications.
MPJ-Express is available on Oakley.
OpenACC is a standard for parallel programming on accelerators, such as Nvidia GPUs and Intel Phi. It consists primarily of a set of compiler directives for executing code on the accelerator, in C and Fortran. OpenACC is currently only supported by the PGI compilers installed on OSC systems.
OpenMP is a standard for parallel programming on shared-memory systems, including multicore systems. It consists primarily of a set of compiler directives for sharing work among multiple threads. OpenMP is supported by all the Fortran, C, and C++ compilers installed on OSC systems.
SuperLU is a library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines. It comes in two different flavors: SuperLU_MT (multithreaded) for shared memory parallel machines and SuperLU_DIST for distributed memory parallel machines.
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.
Availability and Restrictions
TurboVNC is available on Oakley and Glenn Clusters. The versions currently available at OSC are:
JasPer is an extensible open source utility designed for the manipulation, conversion, compression and decompression of digital images. Currently supported image formats include bmp, jp2, jpc, jpg, pgx, mif and ras.
Version 1.900.1 is available on the Oakley cluster.
In order to use the JasPer library, you must load the JasPer module into your environment. To load the JasPer module, type the following command:
The Visualization ToolKit (VTK) is an open source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several interpreted interface layers including Tcl/Tk, Java and Python.
TotalView is a symbolic debugger which supports threads, MPI, OpenMP, C/C++ and Fortran, plus mixed-language codes. Advanced features include on-demand memory leak detection, heap allocation debugging and the Standard Template Library Viewer (STLView). Other features like dive, a wide variety of breakpoints, the Message Queue Graph/Visualizer, powerful data analysis and control at the thread level give you the power you need to solve tough problems.