1. 06 Apr, 2017 1 commit
  2. 09 Feb, 2017 2 commits
  3. 28 Jan, 2017 1 commit
  4. 10 Jan, 2017 1 commit
  5. 29 Nov, 2016 1 commit
  6. 22 Nov, 2016 3 commits
  7. 11 Nov, 2016 1 commit
  8. 25 Oct, 2016 1 commit
  9. 21 Oct, 2016 1 commit
  10. 13 Oct, 2016 1 commit
  11. 04 Oct, 2016 1 commit
  12. 28 Sep, 2016 1 commit
  13. 05 Aug, 2016 1 commit
  14. 04 Aug, 2016 1 commit
  15. 07 Jul, 2016 1 commit
    • Lorenz Huedepohl's avatar
      Fix name clash with reservered symbol 'mpi_status' · 67be7503
      Lorenz Huedepohl authored
      Apparently in some compiler/MPI combinations (gcc with impi 5.1.3) the
      identifier 'mpi_status' is defined and exporeted in their MPI fortran
      module and it is thus not allowed to name one of your local variables
      also 'mpi_status'.
      
      The confusing error message I got was
      
        ../src/elpa2_compute.F90:5780:37:
      
                        call mpi_wait(ireq_hv,mpi_status,mpierr)
                                             1
        Error: Invalid procedure argument at (1)
      
      even though everything seemed to be defined correctly
      67be7503
  16. 10 Jun, 2016 1 commit
  17. 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
  18. 26 Feb, 2016 1 commit
  19. 24 Feb, 2016 2 commits
    • Andreas Marek's avatar
      Add migration notice · 31a03aa2
      Andreas Marek authored
      31a03aa2
    • 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
  20. 18 Feb, 2016 1 commit
  21. 17 Feb, 2016 2 commits
  22. 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
  23. 02 Feb, 2016 2 commits
  24. 13 Jan, 2016 1 commit
  25. 08 Jan, 2016 1 commit
  26. 05 Jan, 2016 1 commit
    • Andreas Marek's avatar
      Updated all variable types · 62a29931
      Andreas Marek authored
      All variables (real, integer, complex) are now declecared with the
      appropiate kind statement. The definition of the kind types is done
      in src/mod_precision.f90
      
      To ensure interoperability with C, the kind types are decleared via
      iso_c_binding to C variables
      62a29931
  27. 22 Dec, 2015 1 commit
  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 1 commit
  30. 10 Dec, 2015 2 commits
    • Andreas Marek's avatar
      Create doxygen documentation for ELPA · 927f988a
      Andreas Marek authored
      The user functions of ELPA are now documented with doxygen tags.
      At the moment the interface of ELPA 2015.11.001 is decribed.
      
      The documentation has step by step to be implemented for all functions
      and test programms.
      927f988a
    • Andreas Marek's avatar
      Split file elpa1.F90 into elpa1.F90 and elpa1_compute.F90 · 9710bf08
      Andreas Marek authored
      For automatic generation of documentation, the file elpa1.F90
      has been splitted into two files, in order to have a lean,
      easy-to-understand user interface:
      
      elpa1.F90
      the visible user functios, which provide the library calls.
      The usage is the same as always
      
      elpa1_compute.F90
      all internal routines, which are used by ELPA1 and ELPA2, but
      which are never called by the user. These functions are now "hidden"
      in the module elpa1_compute, which is used by ELPA1 and ELPA2.
      
      The procedures in elpa1_compute.F90 are identical to the ones in
      elpa1.F90 before this split commit. The only -- but lot of --
      changes are intendation.
      9710bf08
  31. 05 Nov, 2015 1 commit
  32. 28 Oct, 2015 1 commit
    • Alexander Heinecke's avatar
      This commit improves ELPA's performance on Intel(R) Xeon(R) E5v2 and E5v3 series CPUs by: · fe63372d
      Alexander Heinecke authored
      - enabling fusing iterations of stage 5 in ELPA2 for every configuration
      - Changed reduction bandwidth in ELPA2 to be at least 64
      - partial OpenMP parallelization of the QR factorization in bandred_real
      - OpenMP parallelization of SYMM
      - OpenMP parallelization of SYR2K in bandred_real
      - OpenMP parallelization for elpa1_reduce_add_vectors and elpa1_transpose_vectors
      - AVX2 support in backtransformation elpa2_kernels (FMA3 instructions introduced with Haswell microarchitecture)
      fe63372d
  33. 16 Jun, 2015 1 commit