Click on an application in order to view its instructions of use.

Name | Description | |
---|---|---|

ABINIT | This is a application designed to DFT calculations using pseudopotencials oriented study periodic systems. | |

ACML | Set of thoroughly optimized and threaded math routines optimized for high performance on AMD Opteron processors, that include BLAS, LAPACK, FFT libraries. | |

AMBER | Set of applications for mechanical calculations and molecular dynamics of proteins and nucleic acids. | |

ARMCI | General-purpose, efficient and portable library for remote memory access (RMA) operations | |

ATLAS | Efficient and portable implementation of the BLAS library and certain functions of the LAPACK library | |

Ant | Tool to develop applications based on Java and XML | |

BLACS | BLACS library include basic linear algebra communication subprograms direct to use MPI to develop linear algebra applications. | |

BLAS | Library with functions to basic operations with vectors and matrices | |

BLASR | Application to perform protein sequences alignments | |

BLAST | Application to make sequence alignments of proteins and nucleic acids. | |

BayesTraits | Phylogenetic analisis software | |

Berkeley Unified Parallel C | Berkeley University Compiler for Unified Parallel C | |

Blender | Program to model, animation and graphics creation. | |

Boost | Library suite to extend C++ funcionality. | |

CLHEP | Library for high energy physics | |

CP2K | Application to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. | |

CPMD | Car-Parrinello Molecular Dynamics | |

CSD | The CSD records bibliographic, chemical and crystallographic information for organic molecules and metal-organic compounds | |

CUDA | Compiler and toolkit for GPU programming | |

Cilk | Language for multithreaded parallel programming based on ANSI C | |

ClustalW | Program for multiple sequence alignment program for DNA or proteins | |

DOCK | Docking of proteins. | |

Desmond | Software package to perform molecular dynamics simulations of biological systems | |

ExaML | Exascale Maximum Likelihood (ExaML) code for phylogenetic inference using MPI | |

F2C | Transcompiler to convert Fortran 77 code into C code | |

FFTW | FFTW is a C subroutine library for computing the discrete Fourier transform | |

FLAME | Methodology for developing dense linear algebra libraries | |

G95 | Fortan 95 compiler with several optimisations and innovations, such as Co-Array Fortran support | |

GAMESS | Ab initio quantum chemistry package. | |

GAP | System for computational discrete algebra, with particular emphasis on Computational Group Theory. | |

GASNet | High performance library for implementing parallel global address space SPMD languages | |

GAUSSIAN | Quantum Chemistry (ab-initio HF, DFT) | |

GCC | GNU Compiler | |

GCC UPC | GNU UPC compiler | |

GMP | Library for arbitrary precision arithmetic | |

GROMACS | Simulaciones de dinámica molecular de proteinas y ácido nucleicos. | |

GSL | Numerical library for C and C++ programmers | |

Geant4 | Toolkit for the simulation of the passage of particles through matter | |

Global Arrays Toolkit | Programming interface for distributed environments based on a global address space | |

GotoBLAS | Optimized implementation of the BLAS library | |

GotoBLAS2 | Optimized implementation of the BLAS library | |

HDF5 | File format and library for storing scientific data | |

HMMER | Software suite for making and using Hidden Markov Models (HMMs) of biological sequences. | |

HPCToolkit | Integrated suite of tools for measurement and analysis of program performance | |

Intel Compiler | Optimized C/C++/Fortran compiler for Intel architectures | |

Intel MKL | Library of optimized math routines for science, engineering, and financial applications. | |

Java | Software platform to design multiplatform applications | |

LAMMPS | Molecular Dynamics Simulator | |

LAPACK | Linear Algebra package | |

MM5 | PSU/NCAR mesoscale model | |

MPC | C library for the arithmetic of high-precision complex numbers | |

MPFR | C library for multiple-precision floating-point computations with correct rounding | |

MPI | C/C++ and Fortran API for parallel programming | |

MPJ Express | MPI Java implementation | |

Macaulay2 | Application for algebraic geometry and commutative algebra | |

Modules | Package provides for the dynamic modification of a user\\\'s environment via modulefiles | |

MrBayes | MrBayes is a phylogenetic software used for determining the evolutive likelyhood of different species presenting common ancestors. This software is able to predict the appearing rates for each species from the differences between DNA segments of the considered species, through Montecarlo-type simulations over Markov Chains, . | |

NAMD | Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems | |

NWChem | Computational chemistry package | |

NetCDF | Set of interfaces for array-oriented data access and a freely-distributed collection of data access libraries for C, Fortran, C++, Java, and other languages | |

ORCA | ||

OSKI | Library with automatically tuned kernels for sparse matrices | |

Octave | Command line interface for solving linear and nonlinear problems numerically | |

Open64 | Open source, optimising compiler for the Itanium and x86-64 architectures | |

OpenMP | API for multi-platform shared-memory parallel programming in C/C++ and Fortran on all architectures | |

Parallel NetCDF | NetCDF parallel implementation | |

PathScale | QLogic compiler for high performance on AMD64 | |

PhyML | Software package to estimate maximum
likelihood phylogenies from alignments of nucleotide or amino acid sequences
| |

Python | Python is a programming language that lets you work more quickly and integrate your systems more effectively. | |

Quantum Espresso | Plane-wave based cristalline structure software | |

R | Language and environment for statistical computing and graphics | |

SIESTA | Method and computer program implementation, to perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids | |

SINGULAR | Computer algebra system for polynomial computations | |

ScaLAPACK | Library of high-performance linear algebra routines for distributed-memory message-passing MIMD computers | |

SunStudio | Compilers and tools for C, C++, and Fortran | |

SuperLU | Library for the direct solution of large, sparse, nonsymmetric systems of linear equations | |

Valgrind | Instrumentation framework for building dynamic analysis tools |