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Software

Quality software is integral to effective high-performance computing. CACDS installs, configures, and maintains hundreds of software packages on their clusters. Each cluster has different versions of software packages, and each software package is optimized for that particular platform. For more information on software at CACDS and to see a full list of installed packages, see the Software Guide.

Upon request, CACDS can build and install open-source software for our users. Commercial scientific software can often be difficult for individuals to obtain and install; CACDS can help negotiate licensing agreements and purchasing, and migrate purchased commercial software to our systems.

CACDS actively maintains many software packages including:

  • Compilers: We have the latest GNU and Intel C/C++/Fortran compiler and PGI compiler suites, as well as Nvidia’s CUDA compiler for GPU computing. We also maintain compilers for other languages as requested including Java.
  • Programming environments: We maintain several versions of Python, Matlab, and R, as well as several other languages and environments. These environments include many commonly used third-party libraries and packages.
  • Data-processing tools: These include programs for dealing with large-scale data formats, like HDF5 and NetCDF.
  • Numerical libraries: These include Intel’s Math Kernel Library (MKL), a set of highly tuned linear algebra routines; the GNU Scientific Library (GSL); FFTW Fourier transform library; and others.
  • Community codes: We have a large number of commonly-used scientific software packages including codes for molecular dynamics, such as LAMMPS and NAMD; and visualization, such as ParaView; and many more.