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elpa

Eigenvalue Solvers for Petaflop Apllications (ELPA), please see elpa.mpcdf.mpg.de

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Eigenvalue SoLvers for Petaflop-Applications (ELPA)

Current Release

The current release is ELPA 2017.05.001.rc1. The current supported API version is 20170403. This release supports the earliest API version 20170403.

About ELPA

The computation of selected or all eigenvalues and eigenvectors of a symmetric (Hermitian) matrix has high relevance for various scientific disciplines. For the calculation of a significant part of the eigensystem typically direct eigensolvers are used. For large problems, the eigensystem calculations with existing solvers can become the computational bottleneck.

As a consequence, the ELPA project was initiated with the aim to develop and implement an efficient eigenvalue solver for petaflop applications, supported by the German Federal Government, through BMBF Grant 01IH08007, from Dec 2008 to Nov 2011.

The challenging task has been addressed through a multi-disciplinary consortium of partners with complementary skills in different areas.

The ELPA library was originally created by the ELPA consortium, consisting of the following organizations:

  • Max Planck Computing and Data Facility (MPCDF), fomerly known as Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
  • Bergische Universität Wuppertal, Lehrstuhl für angewandte Informatik,
  • Technische Universität München, Lehrstuhl für Informatik mit Schwerpunkt Wissenschaftliches Rechnen ,
  • Fritz-Haber-Institut, Berlin, Abt. Theorie,
  • Max-Plack-Institut für Mathematik in den Naturwissenschaften, Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition, and
  • IBM Deutschland GmbH

ELPA is distributed under the terms of version 3 of the license of the GNU Lesser General Public License as published by the Free Software Foundation.

Obtaining ELPA

There exist several ways to obtain the ELPA library either as sources or pre-compiled packages:

  • official release tar-gz sources from the ELPA webpage
  • from the ELPA git repository
  • as packaged software for several Linux distribtutions (e.g. Debian, Fedora, OpenSuse)

Terms of usage

Your are free to obtain and use the ELPA library, as long as you respect the terms of version 3 of the license of the GNU Lesser General Public License.

No other conditions have to be met.

Nonetheless, we are grateful if you cite the following publications:

T. Auckenthaler, V. Blum, H.-J. Bungartz, T. Huckle, R. Johanni, L. Kr\"amer, B. Lang, H. Lederer, and P. R. Willems, "Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations", Parallel Computing 37, 783-794 (2011). doi:10.1016/j.parco.2011.05.002.

Marek, A.; Blum, V.; Johanni, R.; Havu, V.; Lang, B.; Auckenthaler, T.; Heinecke, A.; Bungartz, H.-J.; Lederer, H. "The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science", Journal of Physics Condensed Matter, 26 (2014) doi:10.1088/0953-8984/26/21/213201

Installation of the ELPA library

ELPA is shipped with a standard autotools automake installation infrastruture. Some other libraries are needed to install ELPA (the details depend on how you configure ELPA):

  • Basic Linear Algebra Subroutines (BLAS)
  • Lapack routines
  • Basic Linear Algebra Communication Subroutines (BLACS)
  • Scalapack routines
  • a working MPI library

Please refer to the INSTALL document on details of the installation process and the possible configure options.

Using ELPA

Please have a look at the "USERS_GUIDE" file, to get a documentation or at the online doygen documentation, where you find the definition of the interfaces.

Contributing to ELPA

It has been, and is, a tremendous effort to develop and maintain the ELPA library. A lot of things can still be done, but our man-power is limited.

Thus every effort and help to improve the ELPA library is higly appreciated. For details please see the CONTRIBUTING document.