1. 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
  2. 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
  3. 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
  4. 30 May, 2017 1 commit
    • Andreas Marek's avatar
      Rename of "solve" method to "eigenvectors" · 0bbb7437
      Andreas Marek authored
      The public "solve" method has been renamed "eigenvectors" since it
      computes the eigenvalues and (at least parts of) the eigenvectors
      
      Another routine "eigenvalues" will just compute the eigenvalues
      0bbb7437
  5. 22 May, 2017 1 commit
  6. 21 May, 2017 1 commit
  7. 19 May, 2017 2 commits
  8. 17 May, 2017 1 commit
  9. 16 May, 2017 2 commits
    • 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
    • Lorenz Huedepohl's avatar
      Working version of ELPA with new API · 3e42d4be
      Lorenz Huedepohl authored
      Still missing is the compatibility layer, currently it only compiles
      when configure is called with
      
        --disable-legacy
      
      Also, a more general solution to parameter passing via environment
      variables would be nice.
      3e42d4be
  10. 28 Apr, 2017 1 commit
  11. 20 Apr, 2017 1 commit
  12. 10 Apr, 2017 1 commit
  13. 08 Apr, 2017 1 commit
  14. 07 Apr, 2017 2 commits
  15. 04 Apr, 2017 1 commit
  16. 03 Apr, 2017 2 commits
    • Lorenz Huedepohl's avatar
      Initial version of new ELPA API · f91c0b4b
      Lorenz Huedepohl authored
      This attempt at a new, more flexible API for ELPA should hopefully
      result in less ABI/API breaking changes in the future.
      
      The new API features a generic key/value system for options that can be
      extended without changing any exported symbols or function signatures,
      so that new, optional features do not influence existing usage of ELPA.
      
      We hope this makes life easier for users of ELPA - at least in the long
      run when they migrated to this newest of ABI changes :)
      
      Example usage (explicit documentation to be done in a future commit):
      
         if (elpa_init(20170403) /= ELPA_OK) then
           error stop "ELPA API version not supported"
         endif
      
         e = elpa_create(na, nev, na_rows, na_cols, nblk, mpi_comm_world, my_prow, my_pcol, success)
      
         call e%set("solver", ELPA_SOLVER_2STAGE)
         call e%set("real_kernel", ELPA_2STAGE_REAL_GENERIC)
      
         call e%solve(a, ev, z, success)
      
         call e%destroy()
      
         call elpa_uninit()
      f91c0b4b
    • Lorenz Huedepohl's avatar
      Improve crazy assert macro · 4de50074
      Lorenz Huedepohl authored
      4de50074
  17. 16 Feb, 2017 1 commit
  18. 31 Jan, 2017 1 commit
  19. 16 Jan, 2017 1 commit
  20. 11 Nov, 2016 1 commit
  21. 01 Nov, 2016 1 commit
  22. 18 Oct, 2016 1 commit
  23. 11 Oct, 2016 1 commit
  24. 09 Aug, 2016 1 commit
  25. 02 Jul, 2016 3 commits
  26. 13 May, 2016 1 commit
  27. 25 Apr, 2016 1 commit
  28. 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
  29. 04 Mar, 2016 1 commit
  30. 26 Feb, 2016 2 commits
  31. 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