Software

HPC Software

A variety of commercial and open-source software is available to facilitate computational research at the University of Louisville. Software for bioinformatics, computational chemistry, fluid dynamics, molecular dynamcs, quantum physics and chemistry, and solid mechancics is available. In addition compilers are available for local code development including GNU, IBM, Intel, and the Portland Group suites of compilers. Oracle and MySQL database managment systems are available as well. The list below provides a high-level overview of general-purpose software that is available on the CRC.

Compilers, Debuggers, and Profilers

• Intel C, C++, and FORTRAN
  
• GNU C, C++, and FORTRAN
  

Parallel Environments

• OpenMPI (Versions 1.2.8 and 1.3.1)
  
• MPICH (Version 1.2.7), MPICH2 (Version 1.0.8)
  
• MVAPICH, MVAPICH2 ()
  
• Intel MPI (Version 3.2.0)
  

Computational Chemistry Software

• Gaussian 03

Mathematical and Statistical Software

• MATLAB and MATLAB Distributed Computing Server with the Parallel Computing Toolbox
  
• SAS
• SPSS
• R (Version 2.8.1), Rmpi (Version 0.5-7), Rpy2
  

Visualization and Plotting

• GNUPlot (Version 4.0)
  
• Grace/Xmgr
• Jmol (Version 11.6.19) 
• XCrySDen (Version 1.5.17)
• VESTA
  

Libraries, Python, and Perl packages

• fftw (Fast Fourier Transform library, Version 3.2.1)
• ATLAS, LAPACK, BLAS, and ScaLAPACK - linear algebra libraries
  
• Intel MKL libraries (optimized versions of the above for Intel compilers)
• GSL, the GNU Scientific Library
• HDF5
  
• NumPy, SciPy, BioPy, and various other Python scientific libraries
• BioPerl (Version 1.6.0)
  

Bioinformatics and biostatistics Software

• ClustalW (Version 2.0.11)
• Blast (Version 2.2.19), WU-Blast (Blast2 Version 2.6)
• Blat
  
• RepeatMasker (Version 3.2.8)
• MUMmer (Version 3.2.1)
• Exalin
  

Data-, Text-, and Web-Mining Software

• Weka (Version 3.6.1)
• Lucene
  

Contact us at it-hpc@louisville.edu with any questions or for additional information.

Research Computing.  It’s happening here.