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Boost | http://www.boost.org | Free peer-reviewed portable C++ source libraries. |
FFTW | http://www.fftw.org | Fast Fourier Transform library. |
Hypre | http://www.llnl.gov/casc/hypre | Scalable algorithms for solving linear systems of equations. |
MFEM | http://mfem.org | Lightweight, general, scalable C++ library for finite element methods. |
MUMPS | http://mumps.enseeiht.fr | A MUltifrontal Massively Parallel Sparse direct Solver. |
PETSC | http://www.mcs.anl.gov/petsc | Portable Extensible Toolkit for Scientific Computation. |
PT-SCOTCH | http://www.labri.fr/perso/pelegrin/scotch | Graph, mesh and hypergraph partitioning library using MPI. |
SLEPC | http://slepc.upv.es | A library for solving large scale sparse eigenvalue problems. |
SuperLU | http://crd.lbl.gov/~xiaoye/SuperLU | A general purpose library for the direct solution of linear equations. |
Trilinos | https://trilinos.org/ | An object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. |
Density Functional Approaches
ABINIT | https://www.abinit.org/ | ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT) . |
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Linear Algebra Operations
LAPACK | http://www.netlib.org/lapack/ | LAPACK is written in Fortran 90 and provides routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems. |
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Matrix and Vector Operations
BLAS | http://netlib.org/blas/ | The BLAS (Basic Linear Algebra Subprograms) are routines that provide standard building blocks for performing basic vector and matrix operations. |
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Cluster HowTos:
- Login to the Cluster
- Loading Environments for Using Codes
- Submitting Jobs to the Cluster