Programming

We provide programming and configuration support for High Performance Computing and Visualization software (see menu at left). Our services include:

  • Troubleshooting malfunctioning programs
  • Parallelizing existing serial codes
  • Developing new parallel codes
  • Training developers in parallel-style coding techniques
  • Tuning software for maximum performance

We support several implementations of MPI as well as OpenMP.

Software Synopsis
Blast Basic local alignment search tool. Available via conda or use the container with Singularity.
GROMACS Molecular simulation engine (see RC webpage)
Gaussian Quantum chemistry calculations (see RC webpage)
JAX Python library for machine learning (see GitHub repo)
Jenkins Automatic testing framework (see GitHub repo)
Julia Fast, flexible programming language (see RC webpage)
Jupyter Interactive Python notebooks (see RC webpage)
LAMMPS Particle simulation engine (see RC webpage)
mpi4py Python interface to MPI (see RC webpage)
PETSc Scientific library (see RC webpage)
PyTorch Deep learning framework (see RC webpage)
Python General-purpose scripting language (see RC webpage)
Quantum Espresso Electronic structure calculations (see RC webpage)
Rapids GPU-enabled analytics and machine learning (see GitHub repo)
R/RStudio Programming environment (see RC webpage)
Scikit-learn Python library for machine learning (see GitHub repo)
Singularity Container platform (see RC webpage)
Spark Processing engine for big data (see RC webpage)
TensorFlow Deep learning framework (see RC webpage)
TurboVNC Graphical desktop sharing (see RC webpage)
VEP Variant effect predictor (use the container with Singularity)

Licensed Software

Our licensed software support includes the deployment, installation, and configuration of the following licensed software products. This is just a sampling of the software readily available on the clusters.

Product Synopsis
ArcGIS A system for people who rely on accurate geographic information to make decisions.
AMPL A modeling language for mathematical programming.
Cadence Provides front-to-back design tools for all aspects of semiconductor design. Cluster Usage Guidelines
DDT A debugging tool for parallel computing. Usage Guidelines.
Imagine Abroad collection of software tools designed specifically to process geospatial satellite imagery
Intel High-performance Fortran/C/C++ compilers and MKL math library. MKL Usage Guidelines.
MAP A performance profiler from Allinea. Usage Guidelines.
Mathematica Fully integrated technical computing software
Matlab High-level technical computing language and interactive environment for algorithm development, data visualization, data analysis, and numerical computation. MATLAB on clusters: Usage Guidelines
Mentor ModelSim Combines single kernel simulator (SKS) technology with a unified debug environment for Verilog, VHDL, and SystemC.
SAS An integrated statistical package
Simics A simulator supporting the definition, development, and deployment of digital systems
Stata An interactive data analysis program
Synopsys Provides tools for digital system-on-chip design. Cluster Usage Guidelines
VTune A powerful graphical and command-line profiler from Intel. Usage Guidelines.

 

For additional licensed software see this OIT Knowledge Base page.