1. 20 Jul, 2017 2 commits
    • Andreas Marek's avatar
      Fix error in analytic tests · 1e00f16a
      Andreas Marek authored
      1e00f16a
    • 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
  2. 19 Jul, 2017 5 commits
  3. 18 Jul, 2017 8 commits
  4. 17 Jul, 2017 2 commits
    • Pavel Kus's avatar
      increasing error tolerance · 76a9a0a6
      Pavel Kus authored
      Should be done in a more systematic way. In this case, in certain
      configuration 1stage_analytic test pased, while 2stage_analytic tests
      failed due to error larger then tolerance
      76a9a0a6
    • Pavel Kus's avatar
      Introducing analytical test · 8a9c9df1
      Pavel Kus authored
      Introducing new test in which matrix and its eigendecomposition is
      known and thus can be easily created and checked directly, without the
      need to use scalapack or any other communication (apart from reducing
      error).
      
      The test is based on the fact, that if L_A and S_A are eigenvalues and
      eigenvectors of matrix A, respectively, and L_B and S_B eigenvalues and
      eigenvectors of B, then kron(L_A, L_B) and kron (S_A, S_B) are
      eigenvalues and eigenvectors of kron(A, B).
      Since it is easy to know exact eigendecomposition of a small matrix (e.g.
      2x2), and kron operator has very simple structure, we can construct
      arbitrarily large matrix and its eigendecomposition. We only have to
      select small matrices such that the resulting matrix has unique and
      ordered eigenvalues, so that the checking of the result is than easy.
      Each element of matrix, eigenvector matrix and eigenvalue vector can
      be quickly computed independently, just using its global coordinates.
      
      The test is currently limited to matrices of size 2^n, but by
      storing eigendecompositions of more small matrices (e.g. 3x3 and 5x5) we
      could construct any matrix of size 2^n*3^m*5^o, which would probably be
      sufficient, since most often used sizes (150, 1000, 5000, 2000, 60000)
      are of this form.
      8a9c9df1
  5. 03 Jul, 2017 1 commit
  6. 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
  7. 22 May, 2017 2 commits
  8. 20 May, 2017 1 commit
  9. 19 May, 2017 1 commit
  10. 18 May, 2017 1 commit
  11. 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
  12. 28 Apr, 2017 2 commits
    • Pavel Kus's avatar
      some more stop -> stop 1 changes · 3a902221
      Pavel Kus authored
      There are also at least those files, where stops without 1 are present
      
      src/elpa1/legacy_interface/elpa_cholesky_template_legacy.X90:
      src/elpa1/legacy_interface/elpa_invert_trm_legacy.X90:
      src/elpa1/legacy_interface/elpa_multiply_a_b_legacy.X90:
      src/elpa1/legacy_interface/elpa_solve_tridi_legacy.X90:
      
      should they be also changed?
      3a902221
    • Pavel Kus's avatar
      error stop "..." removed · b88d8788
      Pavel Kus authored
      b88d8788
  13. 22 Apr, 2017 1 commit
  14. 18 Apr, 2017 1 commit
  15. 07 Apr, 2017 3 commits
  16. 04 Apr, 2017 1 commit
  17. 22 Mar, 2017 1 commit
  18. 17 Mar, 2017 1 commit
  19. 16 Mar, 2017 3 commits
  20. 18 Jan, 2017 1 commit