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Applications on UGRGrid

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

NameDescription
ABINITThis is a application designed to DFT calculations using pseudopotencials oriented study periodic systems.
ACMLSet of thoroughly optimized and threaded math routines optimized for high performance on AMD Opteron processors, that include BLAS, LAPACK, FFT libraries.
AMBERSet of applications for mechanical calculations and molecular dynamics of proteins and nucleic acids.
ARMCIGeneral-purpose, efficient and portable library for remote memory access (RMA) operations
ATLASEfficient and portable implementation of the BLAS library and certain functions of the LAPACK library
AntTool to develop applications based on Java and XML
BLACSBLACS library include basic linear algebra communication subprograms direct to use MPI to develop linear algebra applications.
BLASLibrary with functions to basic operations with vectors and matrices
BLASTApplication to make sequence alignments of proteins and nucleic acids.
BayesTraitsPhylogenetic analisis software
Berkeley Unified Parallel CBerkeley University Compiler for Unified Parallel C
BlenderProgram to model, animation and graphics creation.
BoostLibrary suite to extend C++ funcionality.
CLHEPLibrary for high energy physics
CP2KApplication to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
CPMDCar-Parrinello Molecular Dynamics
CSDThe CSD records bibliographic, chemical and crystallographic information for organic molecules and metal-organic compounds
CilkLanguage for multithreaded parallel programming based on ANSI C
ClustalWProgram for multiple sequence alignment program for DNA or proteins
DOCKDocking of proteins.
ExaMLExascale Maximum Likelihood (ExaML) code for phylogenetic inference using MPI
F2CTranscompiler to convert Fortran 77 code into C code
FFTWFFTW is a C subroutine library for computing the discrete Fourier transform
FLAMEMethodology for developing dense linear algebra libraries
G95Fortan 95 compiler with several optimisations and innovations, such as Co-Array Fortran support
GAMESSAb initio quantum chemistry package.
GAPSystem for computational discrete algebra, with particular emphasis on Computational Group Theory.
GASNetHigh performance library for implementing parallel global address space SPMD languages
GAUSSIANQuantum Chemistry (ab-initio HF, DFT)
GCCGNU Compiler
GCC UPCGNU UPC compiler
GMPLibrary for arbitrary precision arithmetic
GROMACSSimulaciones de dinámica molecular de proteinas y ácido nucleicos.
GSLNumerical library for C and C++ programmers
Geant4Toolkit for the simulation of the passage of particles through matter
Global Arrays ToolkitProgramming interface for distributed environments based on a global address space
GotoBLASOptimized implementation of the BLAS library
GotoBLAS2Optimized implementation of the BLAS library
HDF5File format and library for storing scientific data
HMMERSoftware suite for making and using Hidden Markov Models (HMMs) of biological sequences.
HPCToolkitIntegrated suite of tools for measurement and analysis of program performance
JavaSoftware platform to design multiplatform applications
LAMMPSMolecular Dynamics Simulator
LAPACKLinear Algebra package
MM5PSU/NCAR mesoscale model
MPCC library for the arithmetic of high-precision complex numbers
MPFRC library for multiple-precision floating-point computations with correct rounding
MPIC/C++ and Fortran API for parallel programming
MPJ ExpressMPI Java implementation
Macaulay2Application for algebraic geometry and commutative algebra
ModulesPackage provides for the dynamic modification of a user\\\'s environment via modulefiles
MrBayesMrBayes 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, .
NAMDParallel molecular dynamics code designed for high-performance simulation of large biomolecular systems
NWChemComputational chemistry package
NetCDFSet of interfaces for array-oriented data access and a freely-distributed collection of data access libraries for C, Fortran, C++, Java, and other languages
OSKILibrary with automatically tuned kernels for sparse matrices
OctaveCommand line interface for solving linear and nonlinear problems numerically
Open64Open source, optimising compiler for the Itanium and x86-64 architectures
OpenMPAPI for multi-platform shared-memory parallel programming in C/C++ and Fortran on all architectures
Parallel NetCDFNetCDF parallel implementation
PathScaleQLogic compiler for high performance on AMD64
PhyMLSoftware package to estimate maximum likelihood phylogenies from alignments of nucleotide or amino acid sequences
PythonPython is a programming language that lets you work more quickly and integrate your systems more effectively.
Quantum EspressoPlane-wave based cristalline structure software
RLanguage and environment for statistical computing and graphics
SIESTAMethod and computer program implementation, to perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
SINGULARComputer algebra system for polynomial computations
ScaLAPACKLibrary of high-performance linear algebra routines for distributed-memory message-passing MIMD computers
SunStudioCompilers and tools for C, C++, and Fortran
SuperLULibrary for the direct solution of large, sparse, nonsymmetric systems of linear equations
ValgrindInstrumentation framework for building dynamic analysis tools
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