1. 09 Sep, 2017 1 commit
  2. 30 Jul, 2017 1 commit
    • Lorenz Huedepohl's avatar
      Loop over all possible domain decompositions · fabb1c42
      Lorenz Huedepohl authored
      We got reports from a user that there were troubles with certain domain
      decompositions. So far the tests only looked at (approximately) square
      decompositions in column-major process order.
      
      Now, a new class of tests loops over all possible decompositions
      (row * col) for a given number of total tasks.
      
      So far, we can not confirm that there are any problems, all
      possibilities work as expected.
      fabb1c42
  3. 20 Jul, 2017 1 commit
    • Pavel Kus's avatar
      extending check_correctness · dbef90e4
      Pavel Kus authored
      Previously we checked ortonormality of eigenvectors by comparing
      the matrix S^T * S to identity matrix. The new feature is also
      checking just the diagonal of the matrix S^T * S. By that we get
      the information, how far are the eigenvectors from having length 1.
      If it turns out to be important, we could try to normalize them
      at the end of elpa, which is simple (in contrast with enforcing
      better orthogonality).
      dbef90e4
  4. 09 Jun, 2017 1 commit
  5. 01 Jun, 2017 1 commit
    • Lorenz Huedepohl's avatar
      A bit of cleanup of the test programs · 958032ef
      Lorenz Huedepohl authored
      - Remove all use of ELPA internal modules, the test programs now
        only use the public ELPA API. This is now enforced, by hiding the
        private modules
      
      - Prefix all test internal modules with "test_" to make it really
        clear that these modules are not to be used by users.
      958032ef
  6. 24 May, 2017 1 commit
  7. 19 May, 2017 1 commit
  8. 16 May, 2017 1 commit
    • Lorenz Huedepohl's avatar
      Adapt legacy interface to new API · ac061bca
      Lorenz Huedepohl authored
      The legacy API is has been (internally) ported to use the new interface.
      The intent is that users of the legacy API do not have to change their
      codes.
      
      Next step is to completely adapt the .gitlab-ci.yml file
      ac061bca
  9. 22 Apr, 2017 1 commit
  10. 19 Apr, 2017 1 commit
  11. 13 Apr, 2017 1 commit
  12. 04 Apr, 2017 1 commit
  13. 01 Nov, 2016 1 commit
  14. 11 Oct, 2016 1 commit
  15. 10 Aug, 2016 1 commit
  16. 09 Aug, 2016 1 commit
  17. 05 Aug, 2016 3 commits
  18. 04 Aug, 2016 4 commits
  19. 02 Jul, 2016 3 commits
  20. 13 May, 2016 1 commit
  21. 25 Apr, 2016 1 commit
  22. 18 Mar, 2016 1 commit
    • Andreas Marek's avatar
      Allow ELPA to be build with single and double precision symbols in one · 647aa5a8
      Andreas Marek authored
      library
      
      It the configure option "--enable-single-precision" is specified,
      ELPA will also be build for single precision usage. The double precision
      and single precision will be available at the same time with names
      "solve_evp_real_1stage_double" or "solve_evp_real_1stage_single" and
      so on...
      
      This change immplied some major refactoring of the ELPA code:
      1.) functions/procedures had to be renamed with suffix "_double"
      
      2.) If necessary the same functions have to be available with suffix
      "_single"
      
      3.) Variable kind definitions have to be consistent with the
      intented use
      
      To avoid uneccessary code duplication this is done (most of the time)
      with preprocessor string substitution.
      
      The documentation has been updated.
      
      NOT SUPPORTED are at the moment:
      
      - single precision usage of ELPA2 with kernels, others than "generic"
        and "generic_simple"
      
      - single precision usage of GPU
      647aa5a8
  23. 04 Mar, 2016 1 commit
  24. 26 Feb, 2016 1 commit
  25. 24 Feb, 2016 3 commits
    • Andreas Marek's avatar
      Add migration notice · 31a03aa2
      Andreas Marek authored
      31a03aa2
    • Andreas Marek's avatar
      Template for print messages of test programs · 296e4f48
      Andreas Marek authored
      The test programs include the same template now, the
      printed messages are thus unified
      296e4f48
    • Andreas Marek's avatar
      Optional build of ELPA without MPI · 49f119aa
      Andreas Marek authored
      The configure flag "--enable-shared-memory-only" triggers a build
      of ELPA without MPI support:
      
      - all MPI calls are skipped (or overloaded)
      - all calls to scalapack functions are replaced by the corresponding
        lapack calls
      - all calls to blacs are skipped
      
      Using ELPA without MPI gives the same results as using ELPA with 1 MPI
      task!
      
      This version is not yet optimized for performance, here and there some
      unecessary copies are done.
      
      Ths version is intended for users, who do not have MPI in their
      application but still would like to use ELPA on one compute node
      49f119aa
  26. 11 Feb, 2016 1 commit
    • Andreas Marek's avatar
      Enable single-precision calculations for ELPA1 · de6a4fde
      Andreas Marek authored
      With the configure option "--enable-single-precision" ELPA1 is build
      with single-precision (half-words) only.
      
      The best precision in single-precision (float or complex) is
      2^-23 ~ 1.2e-7. The accuracy of the error residual of ELPA1 in
      single-precision mode is of the order 1e-4 to 1e-5. The orthogonality of
      the EV's is fullfilled up to about ~1e-6.
      
      Thus the precision of ELPA1 in single-precision mode is roughly 100 -
      1000 times less than the best achievable precison. This is consistent
      with the double-precision mode, where also a factor of 100 - 1000 less
      precision than the theoretical best one is found.
      
      The float EVs are identical to the double EVs to at least 1e-2, the
      precision of the EVs is thus about 1e-7/1e-2 = 1e5 times lower than the
      best theoretical precision. If the same holds for the double precision
      calculations, this implies that the double precision results can also
      be only trusted on the level 1e-11 (5 orders of magnitude larger
      than the best theoretical precision)
      
      The best speed-up compared to the double precision calculation is
      a factor of two. This is by far not achieved yet, since the singl
      precision version is not at all optimized at the moment
      de6a4fde
  27. 04 Jan, 2016 1 commit
    • Andreas Marek's avatar
      Started to remove depecrated Fortran variable declerations · 0a05f7d3
      Andreas Marek authored
      The Fortran variable declerations "variable type*[4,8,16]" is non
      Fortran standard. It might cause problem in the future.
      Furthermore, the usage of Fortran and C togehther is more clean
      if variables are defined according to C variable types.
      
      This is done, now for all the test programs
      0a05f7d3
  28. 16 Dec, 2015 1 commit
    • Andreas Marek's avatar
      Add interface to unify C and Fortran names · bb046d1c
      Andreas Marek authored
      This commit does not change the interfaces defined in ELPA_2015.11.001 !
      All functionality is available via the interface names and definitions
      as in ELPA_2015.11.001
      
      But some new interfaces have been added, in order to unfiy the
      references from C and Fortran codes:
      
      - The procedures to create the ELPA (row/column) communicators are now
        available from C _and_ Fortran with the name "get_elpa_communicators".
        The old Fortran name "get_elpa_row_col_comms" and the old C name
        "elpa_get_communicators" are from now on deprecated but still available
      
      - The 1-stage solver routines are available from C _and_ Fortran via
        the names "solve_evp_real_1stage" and "solve_evp_complex_1stage".
        The old Fortran names "solve_evp_real" and "solve_evp_complex" are
        from now on deprecated but still functional.
      
      All documentation (man pages, doxygen, and example test programs) have
      been changed accordingly.
      
      This commit implies a change in the API versioning number, but no
      changes to codes calling ELPA (if they have been already updated to the
      API of ELPA_2015.11.001)
      bb046d1c
  29. 11 Dec, 2015 2 commits
  30. 03 Nov, 2015 1 commit
    • Andreas Marek's avatar
      Update of c test cases · 505004e7
      Andreas Marek authored
      The examples, how to invoke ELPA from a c program have been updated.
      There are now examples for ELPA1 and ELPA2 both real and complex case.
      The test cases are still with less functionality than their Fortran
      counter parts, they are just ment as a "proof-of-concept".
      505004e7