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Applications on Alhambra

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

ABINITThis is a application designed to DFT calculations using pseudopotencials oriented study periodic systems.
ATLASEfficient and portable implementation of the BLAS library and certain functions of the LAPACK library
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
BlenderProgram to model, animation and graphics creation.
BoostLibrary suite to extend C++ funcionality.
CP2KApplication to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
CPMDCar-Parrinello Molecular Dynamics
CUDACompiler and toolkit for GPU programming
DesmondSoftware package to perform molecular dynamics simulations of biological systems
F2CTranscompiler to convert Fortran 77 code into C code
FFTWFFTW is a C subroutine library for computing the discrete Fourier transform
G95Fortan 95 compiler with several optimisations and innovations, such as Co-Array Fortran support
GAMESSAb initio quantum chemistry package.
GAUSSIANQuantum Chemistry (ab-initio HF, DFT)
GCCGNU Compiler
GMPLibrary for arbitrary precision arithmetic
GotoBLAS2Optimized implementation of the BLAS library
HDF5File format and library for storing scientific data
Intel CompilerOptimized C/C++/Fortran compiler for Intel architectures
Intel MKLLibrary of optimized math routines for science, engineering, and financial applications.
JavaSoftware platform to design multiplatform applications
LAMMPSMolecular Dynamics Simulator
LAPACKLinear Algebra package
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
ModulesPackage provides for the dynamic modification of a user\\\'s environment via modulefiles
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
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
ScaLAPACKLibrary of high-performance linear algebra routines for distributed-memory message-passing MIMD computers
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