elpa_impl.F90 41 KB
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!
!    Copyright 2017, L. Hüdepohl and A. Marek, MPCDF
!
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!    This file is part of ELPA.
!
!    The ELPA library was originally created by the ELPA consortium,
!    consisting of the following organizations:
!
!    - Max Planck Computing and Data Facility (MPCDF), formerly 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
!
!    This particular source code file contains additions, changes and
!    enhancements authored by Intel Corporation which is not part of
!    the ELPA consortium.
!
!    More information can be found here:
!    http://elpa.mpcdf.mpg.de/
!
!    ELPA is free software: you can redistribute it and/or modify
!    it under the terms of the version 3 of the license of the
!    GNU Lesser General Public License as published by the Free
!    Software Foundation.
!
!    ELPA is distributed in the hope that it will be useful,
!    but WITHOUT ANY WARRANTY; without even the implied warranty of
!    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!    GNU Lesser General Public License for more details.
!
!    You should have received a copy of the GNU Lesser General Public License
!    along with ELPA.  If not, see <http://www.gnu.org/licenses/>
!
!    ELPA reflects a substantial effort on the part of the original
!    ELPA consortium, and we ask you to respect the spirit of the
!    license that we chose: i.e., please contribute any changes you
!    may have back to the original ELPA library distribution, and keep
!    any derivatives of ELPA under the same license that we chose for
!    the original distribution, the GNU Lesser General Public License.
!
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#include "config-f90.h"
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!> \brief Fortran module which provides the implementation of the API
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module elpa_impl
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  use elpa_abstract_impl
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  use, intrinsic :: iso_c_binding
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  implicit none
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  private
  public :: elpa_impl_allocate
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!> \brief Definition of the extended elpa_impl_t type
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  type, extends(elpa_abstract_impl_t) :: elpa_impl_t
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   private
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   type(c_ptr)         :: index = C_NULL_PTR
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   !> \brief methods available with the elpa_impl_t type
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   contains
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     !> \brief the puplic methods
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     ! con-/destructor
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     procedure, public :: setup => elpa_setup                   !< a setup method: implemented in elpa_setup
     procedure, public :: destroy => elpa_destroy               !< a destroy method: implemented in elpa_destroy
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     ! KV store
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     procedure, public :: get => elpa_get_integer               !< a get method for integer key/values: implemented in elpa_get_integer
     procedure, public :: get_double => elpa_get_double         !< a get method for double key/values: implemented in elpa_get_double
     procedure, public :: is_set => elpa_is_set                 !< a method to check whether a key/value pair has been set : implemented
                                                                !< in elpa_is_set
     procedure, public :: can_set => elpa_can_set               !< a method to check whether a key/value pair can be set : implemented
                                                                !< in elpa_can_set
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     ! timer
     procedure, public :: get_time => elpa_get_time
     procedure, public :: print_times => elpa_print_times


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     !> \brief the private methods
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     procedure, private :: elpa_set_integer                     !< private methods to implement the setting of an integer/double key/value pair
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     procedure, private :: elpa_set_double
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     procedure, private :: elpa_solve_real_double               !< private methods to implement the solve step for real/complex
                                                                !< double/single matrices
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     procedure, private :: elpa_solve_real_single
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     procedure, private :: elpa_solve_complex_double
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     procedure, private :: elpa_solve_complex_single
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     procedure, private :: elpa_multiply_at_b_double            !< private methods to implement a "hermitian" multiplication of matrices a and b
     procedure, private :: elpa_multiply_at_b_single            !< for real valued matrices:   a**T * b
     procedure, private :: elpa_multiply_ah_b_double            !< for complex valued matrices:   a**H * b
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     procedure, private :: elpa_multiply_ah_b_single
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     procedure, private :: elpa_cholesky_double_real            !< private methods to implement the cholesky factorisation of
                                                                !< real/complex double/single matrices
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     procedure, private :: elpa_cholesky_single_real
     procedure, private :: elpa_cholesky_double_complex
     procedure, private :: elpa_cholesky_single_complex
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     procedure, private :: elpa_invert_trm_double_real          !< private methods to implement the inversion of a triangular
                                                                !< real/complex double/single matrix
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     procedure, private :: elpa_invert_trm_single_real
     procedure, private :: elpa_invert_trm_double_complex
     procedure, private :: elpa_invert_trm_single_complex
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     procedure, private :: elpa_solve_tridi_double_real         !< private methods to implement the solve step for a real valued
     procedure, private :: elpa_solve_tridi_single_real         !< double/single tridiagonal matrix
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     procedure, private :: associate_int => elpa_associate_int  !< private method to set some pointers
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  end type elpa_impl_t
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  !> \brief the implementation of the private methods
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  contains
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    !> \brief function to allocate an ELPA object
    !> Parameters
    !> \param   error      integer, optional to get an error code
    !> \result  obj        class(elpa_impl_t) allocated ELPA object
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    function elpa_impl_allocate(error) result(obj)
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      use precision
      use elpa_utilities, only : error_unit
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      use elpa_generated_fortran_interfaces
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      type(elpa_impl_t), pointer   :: obj
      integer, optional            :: error

      allocate(obj)
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      ! check whether init has ever been called
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      if ( elpa_initialized() .ne. ELPA_OK) then
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        write(error_unit, *) "elpa_allocate(): you must call elpa_init() once before creating instances of ELPA"
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        if(present(error)) then
          error = ELPA_ERROR
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        endif
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        return
      endif
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      obj%index = elpa_index_instance_c()
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      ! Associate some important integer pointers for convenience
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      obj%na => obj%associate_int("na")
      obj%nev => obj%associate_int("nev")
      obj%local_nrows => obj%associate_int("local_nrows")
      obj%local_ncols => obj%associate_int("local_ncols")
      obj%nblk => obj%associate_int("nblk")

      if(present(error)) then
        error = ELPA_OK
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      endif
    end function
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    !c> elpa_t elpa_allocate();
    function elpa_impl_allocate_for_c(error) result(ptr) bind(C, name="elpa_allocate")
      integer(kind=c_int) :: error
      type(c_ptr) :: ptr
      type(elpa_impl_t), pointer :: obj

      obj => elpa_impl_allocate(error)
      ptr = c_loc(obj)
    end function


    !c> void elpa_deallocate(elpa_t handle);
    subroutine elpa_impl_deallocate_for_c(handle) bind(C, name="elpa_deallocate")
      type(c_ptr), value :: handle
      type(elpa_impl_t), pointer :: self

      call c_f_pointer(handle, self)
      call self%destroy()
      deallocate(self)
    end subroutine


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    !> \brief function to setup an ELPA object and to store the MPI communicators internally
    !> Parameters
    !> \param   self       class(elpa_impl_t), the allocated ELPA object
    !> \result  error      integer, the error code
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    function elpa_setup(self) result(error)
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      use elpa1_impl, only : elpa_get_communicators_impl
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      class(elpa_impl_t), intent(inout) :: self
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      integer :: error, error2
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      integer :: mpi_comm_rows, mpi_comm_cols, mpierr
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#ifdef WITH_MPI
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      error = ELPA_ERROR
      if (self%is_set("mpi_comm_parent") == 1 .and. &
          self%is_set("process_row") == 1 .and. &
          self%is_set("process_col") == 1) then
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        mpierr = elpa_get_communicators_impl(&
                        self%get("mpi_comm_parent"), &
                        self%get("process_row"), &
                        self%get("process_col"), &
                        mpi_comm_rows, &
                        mpi_comm_cols)
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        call self%set("mpi_comm_rows", mpi_comm_rows)
        call self%set("mpi_comm_cols", mpi_comm_cols)

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        error = ELPA_OK
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      endif
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      if (self%is_set("mpi_comm_rows") == 1 .and. self%is_set("mpi_comm_cols") == 1) then
        error = ELPA_OK
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      endif
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#else
      error = ELPA_OK
#endif
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      if (self%get("timings") == 1) then
        call self%timer%enable()
      endif

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    end function
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    !c> int elpa_setup(elpa_t handle);
    function elpa_setup_for_c(handle) result(error) bind(C, name="elpa_setup")
      type(c_ptr), intent(in), value :: handle
      type(elpa_impl_t), pointer :: self
      integer(kind=c_int) :: error

      call c_f_pointer(handle, self)
      error = self%setup()
    end function


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    !> \brief subroutine to set an integer key/value pair
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \param   value      integer, the value to be set
    !> \result  error      integer, the error code
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    subroutine elpa_set_integer(self, name, value, error)
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      use iso_c_binding
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      use elpa_generated_fortran_interfaces
      use elpa_utilities, only : error_unit
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      class(elpa_impl_t)              :: self
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      character(*), intent(in)        :: name
      integer(kind=c_int), intent(in) :: value
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      integer, optional               :: error
      integer                         :: actual_error
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      actual_error = elpa_index_set_int_value_c(self%index, name // c_null_char, value, 0)
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      if (present(error)) then
        error = actual_error
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      else if (actual_error /= ELPA_OK) then
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        write(error_unit,'(a,i0,a)') "ELPA: Error setting option '" // name // "' to value ", value, &
                " (got: " // elpa_strerr(actual_error) // ") and you did not check for errors!"
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      end if
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    end subroutine

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    !c> void elpa_set_integer(elpa_t handle, const char *name, int value, int *error);
    subroutine elpa_set_integer_for_c(handle, name_p, value, error) bind(C, name="elpa_set_integer")
      type(c_ptr), intent(in), value :: handle
      type(elpa_impl_t), pointer :: self
      type(c_ptr), intent(in), value :: name_p
      character(len=elpa_strlen_c(name_p)), pointer :: name
      integer(kind=c_int), intent(in), value :: value
      integer(kind=c_int), optional, intent(in) :: error

      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      call elpa_set_integer(self, name, value, error)
    end subroutine


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    !> \brief function to get an integer key/value pair
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \param   error      integer, optional, to store an error code
    !> \result  value      integer, the value of the key/vaue pair
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    function elpa_get_integer(self, name, error) result(value)
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      use iso_c_binding
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      use elpa_generated_fortran_interfaces
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      use elpa_utilities, only : error_unit
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      class(elpa_impl_t)             :: self
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      character(*), intent(in)       :: name
      integer(kind=c_int)            :: value
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      integer, intent(out), optional :: error
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      integer                        :: actual_error
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      value = elpa_index_get_int_value_c(self%index, name // c_null_char, actual_error)
      if (present(error)) then
        error = actual_error
      else if (actual_error /= ELPA_OK) then
        write(error_unit,'(a)') "ELPA: Error getting option '" // name // "'" // &
                " (got: " // elpa_strerr(actual_error) // ") and you did not check for errors!"
      end if
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    end function
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    !> \brief function to check whether a key/value pair is set
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \result  state      integer, the state of the key/value pair
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    function elpa_is_set(self, name) result(state)
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      use iso_c_binding
      use elpa_generated_fortran_interfaces
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      class(elpa_impl_t)       :: self
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      character(*), intent(in) :: name
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      integer                  :: state
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      state = elpa_index_value_is_set_c(self%index, name // c_null_char)
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    end function

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    !> \brief function to check whether a key/value pair can be set
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \param   value      integer, value
    !> \result  error      integer, error code
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    function elpa_can_set(self, name, value) result(error)
      use iso_c_binding
      use elpa_generated_fortran_interfaces
      class(elpa_impl_t)       :: self
      character(*), intent(in) :: name
      integer(kind=c_int), intent(in) :: value
      integer                  :: error

      error = elpa_index_int_is_valid_c(self%index, name // c_null_char, value)
    end function


    function elpa_value_to_string(self, option_name, error) result(string)
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      use elpa_generated_fortran_interfaces
      class(elpa_impl_t), intent(in) :: self
      character(kind=c_char, len=*), intent(in) :: option_name
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      type(c_ptr) :: ptr
      integer, intent(out), optional :: error
      integer :: val, actual_error
      character(kind=c_char, len=elpa_index_int_value_to_strlen_c(self%index, option_name // C_NULL_CHAR)), pointer :: string
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      nullify(string)

      val = self%get(option_name, actual_error)
      if (actual_error /= ELPA_OK) then
        if (present(error)) then
          error = actual_error
        endif
        return
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      endif

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      actual_error = elpa_int_value_to_string_c(option_name // C_NULL_CHAR, val, ptr)
      if (c_associated(ptr)) then
        call c_f_pointer(ptr, string)
      endif
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      if (present(error)) then
        error = actual_error
      endif
    end function
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    subroutine elpa_set_double(self, name, value, error)
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      use iso_c_binding
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      use elpa_generated_fortran_interfaces
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      use elpa_utilities, only : error_unit
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      class(elpa_impl_t)              :: self
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      character(*), intent(in)        :: name
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      real(kind=c_double), intent(in) :: value
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      integer, optional               :: error
      integer                         :: actual_error
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      actual_error = elpa_index_set_double_value_c(self%index, name // c_null_char, value, 0)
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      if (present(error)) then
        error = actual_error
      else if (actual_error /= ELPA_OK) then
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        write(error_unit,'(a,es12.5,a)') "ELPA: Error setting option '" // name // "' to value ", value, &
                " (got: " // elpa_strerr(actual_error) // ") and you did not check for errors!"
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      end if
    end subroutine
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    !c> void elpa_set_double(elpa_t handle, const char *name, double value, int *error);
    subroutine elpa_set_double_for_c(handle, name_p, value, error) bind(C, name="elpa_set_double")
      type(c_ptr), intent(in), value :: handle
      type(elpa_impl_t), pointer :: self
      type(c_ptr), intent(in), value :: name_p
      character(len=elpa_strlen_c(name_p)), pointer :: name
      real(kind=c_double), intent(in), value :: value
      integer(kind=c_int), optional, intent(in) :: error

      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      call elpa_set_double(self, name, value, error)
    end subroutine


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    function elpa_get_double(self, name, error) result(value)
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      use iso_c_binding
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      use elpa_generated_fortran_interfaces
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      use elpa_utilities, only : error_unit
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      class(elpa_impl_t)             :: self
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      character(*), intent(in)       :: name
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      real(kind=c_double)            :: value
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      integer, intent(out), optional :: error
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      integer                        :: actual_error
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      value = elpa_index_get_double_value_c(self%index, name // c_null_char, actual_error)
      if (present(error)) then
        error = actual_error
      else if (actual_error /= ELPA_OK) then
        write(error_unit,'(a)') "ELPA: Error getting option '" // name // "'" // &
                " (got: " // elpa_strerr(actual_error) // ") and you did not check for errors!"
      end if
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    end function
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    function elpa_associate_int(self, name) result(value)
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      use iso_c_binding
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      use elpa_generated_fortran_interfaces
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      use elpa_utilities, only : error_unit
      class(elpa_impl_t)             :: self
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      character(*), intent(in)       :: name
      integer(kind=c_int), pointer   :: value
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      type(c_ptr)                    :: value_p

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      value_p = elpa_index_get_int_loc_c(self%index, name // c_null_char)
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      if (.not. c_associated(value_p)) then
        write(error_unit, '(a,a,a)') "ELPA: Warning, received NULL pointer for entry '", name, "'"
      endif
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      call c_f_pointer(value_p, value)
    end function
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    function elpa_get_time(self, name1, name2, name3, name4, name5, name6) result(s)
      class(elpa_impl_t), intent(in) :: self
      ! this is clunky, but what can you do..
      character(len=*), intent(in), optional :: name1, name2, name3, name4, name5, name6
      real(kind=c_double) :: s

      s = self%timer%get(name1, name2, name3, name4, name5, name6)
    end function


    subroutine elpa_print_times(self)
      class(elpa_impl_t), intent(in) :: self
      call self%timer%print()
    end subroutine


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    subroutine elpa_solve_real_double(self, a, ev, q, error)
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      use elpa2_impl
      use elpa1_impl
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      use elpa_utilities, only : error_unit
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      use precision
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      use iso_c_binding
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      class(elpa_impl_t)  :: self
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#ifdef USE_ASSUMED_SIZE
      real(kind=c_double) :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
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      real(kind=c_double) :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
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#endif
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      real(kind=c_double) :: ev(self%na)
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      integer, optional   :: error
      integer(kind=c_int) :: error_actual
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      logical             :: success_l
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      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
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        success_l = elpa_solve_evp_real_1stage_double_impl(self, a, ev, q)
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      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
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        success_l = elpa_solve_evp_real_2stage_double_impl(self, a, ev, q)
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      else
        print *,"unknown solver"
        stop
      endif
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      if (present(error)) then
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        if (success_l) then
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          error = ELPA_OK
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        else
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          error = ELPA_ERROR
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        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
    end subroutine

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    !c> void elpa_solve_real_double(elpa_t handle, double *a, double *ev, double *q, int *error);
    subroutine elpa_solve_real_double_for_c(handle, a_p, ev_p, q_p, error) bind(C, name="elpa_solve_real_double")
      type(c_ptr), intent(in), value :: handle, a_p, ev_p, q_p
      integer(kind=c_int), optional, intent(in) :: error

      real(kind=c_double), pointer :: a(:, :), q(:, :), ev(:)
      type(elpa_impl_t), pointer  :: self

      call c_f_pointer(handle, self)
      call c_f_pointer(a_p, a, [self%local_nrows, self%local_ncols])
      call c_f_pointer(ev_p, ev, [self%na])
      call c_f_pointer(q_p, q, [self%local_nrows, self%local_ncols])

      call elpa_solve_real_double(self, a, ev, q, error)
    end subroutine

514

515
    subroutine elpa_solve_real_single(self, a, ev, q, error)
516
517
      use elpa2_impl
      use elpa1_impl
518
      use elpa_utilities, only : error_unit
519
      use precision
520
      use iso_c_binding
521
      class(elpa_impl_t)  :: self
522
523
524
#ifdef USE_ASSUMED_SIZE
      real(kind=c_float)  :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
525
      real(kind=c_float)  :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
526
#endif
527
      real(kind=c_float)  :: ev(self%na)
528

529
530
      integer, optional   :: error
      integer(kind=c_int) :: error_actual
531
      logical             :: success_l
532

533
#ifdef WANT_SINGLE_PRECISION_REAL
534

535
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
536
        success_l = elpa_solve_evp_real_1stage_single_impl(self, a, ev, q)
537

538
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
539
        success_l = elpa_solve_evp_real_2stage_single_impl(self, a, ev, q)
540
541
542
543
      else
        print *,"unknown solver"
        stop
      endif
544

545
      if (present(error)) then
546
        if (success_l) then
547
          error = ELPA_OK
548
        else
549
          error = ELPA_ERROR
550
551
552
553
554
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
#else
555
      print *,"This installation of the ELPA library has not been build with single-precision support"
556
      error = ELPA_ERROR
557
558
559
#endif
    end subroutine

560

561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
    !c> void elpa_solve_real_single(elpa_t handle, float *a, float *ev, float *q, int *error);
    subroutine elpa_solve_real_single_for_c(handle, a_p, ev_p, q_p, error) bind(C, name="elpa_solve_real_single")
      type(c_ptr), intent(in), value :: handle, a_p, ev_p, q_p
      integer(kind=c_int), optional, intent(in) :: error

      real(kind=c_float), pointer :: a(:, :), q(:, :), ev(:)
      type(elpa_impl_t), pointer  :: self

      call c_f_pointer(handle, self)
      call c_f_pointer(a_p, a, [self%local_nrows, self%local_ncols])
      call c_f_pointer(ev_p, ev, [self%na])
      call c_f_pointer(q_p, q, [self%local_nrows, self%local_ncols])

      call elpa_solve_real_single(self, a, ev, q, error)
    end subroutine


578
    subroutine elpa_solve_complex_double(self, a, ev, q, error)
579
580
      use elpa2_impl
      use elpa1_impl
581
      use elpa_utilities, only : error_unit
582
      use precision
583
      use iso_c_binding
584
      class(elpa_impl_t)             :: self
585

586
587
588
#ifdef USE_ASSUMED_SIZE
      complex(kind=c_double_complex) :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
589
      complex(kind=c_double_complex) :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
590
#endif
591
      real(kind=c_double)            :: ev(self%na)
592

593
594
      integer, optional              :: error
      integer(kind=c_int)            :: error_actual
595
      logical                        :: success_l
596

597
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
598
        success_l = elpa_solve_evp_complex_1stage_double_impl(self, a, ev, q)
599

600
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
601
        success_l = elpa_solve_evp_complex_2stage_double_impl(self,  a, ev, q)
602
603
604
605
      else
        print *,"unknown solver"
        stop
      endif
606

607
      if (present(error)) then
608
        if (success_l) then
609
          error = ELPA_OK
610
        else
611
          error = ELPA_ERROR
612
613
614
615
616
617
618
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
    end subroutine


619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
    !c> void elpa_solve_complex_double(elpa_t handle, double complex *a, double *ev, double complex *q, int *error);
    subroutine elpa_solve_complex_double_for_c(handle, a_p, ev_p, q_p, error) bind(C, name="elpa_solve_complex_double")
      type(c_ptr), intent(in), value :: handle, a_p, ev_p, q_p
      integer(kind=c_int), optional, intent(in) :: error

      complex(kind=c_double_complex), pointer :: a(:, :), q(:, :)
      real(kind=c_double), pointer :: ev(:)
      type(elpa_impl_t), pointer  :: self

      call c_f_pointer(handle, self)
      call c_f_pointer(a_p, a, [self%local_nrows, self%local_ncols])
      call c_f_pointer(ev_p, ev, [self%na])
      call c_f_pointer(q_p, q, [self%local_nrows, self%local_ncols])

      call elpa_solve_complex_double(self, a, ev, q, error)
    end subroutine


637
    subroutine elpa_solve_complex_single(self, a, ev, q, error)
638
639
      use elpa2_impl
      use elpa1_impl
640
641
642
      use elpa_utilities, only : error_unit

      use iso_c_binding
643
      use precision
644
      class(elpa_impl_t)            :: self
645
646
647
648
649
650
#ifdef USE_ASSUMED_SIZE
      complex(kind=ck4)             :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
      complex(kind=ck4)             :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
#endif
      real(kind=rk4)                :: ev(self%na)
651

652
653
      integer, optional             :: error
      integer(kind=c_int)           :: error_actual
654
      logical                       :: success_l
655
656

#ifdef WANT_SINGLE_PRECISION_COMPLEX
657

658
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
659
        success_l = elpa_solve_evp_complex_1stage_single_impl(self, a, ev, q)
660

661
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
662
        success_l = elpa_solve_evp_complex_2stage_single_impl(self,  a, ev, q)
663
664
665
666
      else
        print *,"unknown solver"
        stop
      endif
667

668
      if (present(error)) then
669
        if (success_l) then
670
          error = ELPA_OK
671
        else
672
          error = ELPA_ERROR
673
674
675
676
677
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
#else
678
      print *,"This installation of the ELPA library has not been build with single-precision support"
679
      error = ELPA_ERROR
680
681
682
#endif
    end subroutine

683

684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
    !c> void elpa_solve_complex_single(elpa_t handle, float complex *a, float *ev, float complex *q, int *error);
    subroutine elpa_solve_complex_single_for_c(handle, a_p, ev_p, q_p, error) bind(C, name="elpa_solve_complex_single")
      type(c_ptr), intent(in), value :: handle, a_p, ev_p, q_p
      integer(kind=c_int), optional, intent(in) :: error

      complex(kind=c_float_complex), pointer :: a(:, :), q(:, :)
      real(kind=c_float), pointer :: ev(:)
      type(elpa_impl_t), pointer  :: self

      call c_f_pointer(handle, self)
      call c_f_pointer(a_p, a, [self%local_nrows, self%local_ncols])
      call c_f_pointer(ev_p, ev, [self%na])
      call c_f_pointer(q_p, q, [self%local_nrows, self%local_ncols])

      call elpa_solve_complex_single(self, a, ev, q, error)
    end subroutine


702
    subroutine elpa_multiply_at_b_double (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
703
                                          c, ldc, ldcCols, error)
704
      use iso_c_binding
705
      use elpa1_auxiliary_impl
706
      use precision
707
      class(elpa_impl_t)              :: self
708
      character*1                     :: uplo_a, uplo_c
709
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
710
711
712
#ifdef USE_ASSUMED_SIZE
      real(kind=rk8)                  :: a(lda,*), b(ldb,*), c(ldc,*)
#else
713
      real(kind=rk8)                  :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
714
#endif
715
      integer, optional               :: error
716
717
      logical                         :: success_l

718
719
      success_l = elpa_mult_at_b_real_double_impl(self, uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
                                                  c, ldc, ldcCols)
720
      if (present(error)) then
721
        if (success_l) then
722
          error = ELPA_OK
723
        else
724
          error = ELPA_ERROR
725
726
727
728
729
730
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in multiply_a_b() and you did not check for errors!"
      endif
    end subroutine

731

732
    subroutine elpa_multiply_at_b_single (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
733
                                          c, ldc, ldcCols, error)
734
      use iso_c_binding
735
      use elpa1_auxiliary_impl
736
      use precision
737
      class(elpa_impl_t)              :: self
738
      character*1                     :: uplo_a, uplo_c
739
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
740
741
742
#ifdef USE_ASSUMED_SIZE
      real(kind=rk4)                  :: a(lda,*), b(ldb,*), c(ldc,*)
#else
743
      real(kind=rk4)                  :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
744
#endif
745
      integer, optional               :: error
746
747
      logical                         :: success_l
#ifdef WANT_SINGLE_PRECISION_REAL
748
749
      success_l = elpa_mult_at_b_real_single_impl(self, uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
                                                  c, ldc, ldcCols)
750
      if (present(error)) then
751
        if (success_l) then
752
          error = ELPA_OK
753
        else
754
          error = ELPA_ERROR
755
756
757
758
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in multiply_a_b() and you did not check for errors!"
      endif
759
760
#else
      print *,"This installation of the ELPA library has not been build with single-precision support"
761
      error = ELPA_ERROR
762
763
764
#endif
    end subroutine

765

766
    subroutine elpa_multiply_ah_b_double (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
767
                                          c, ldc, ldcCols, error)
768
      use iso_c_binding
769
      use elpa1_auxiliary_impl
770
      use precision
771
      class(elpa_impl_t)              :: self
772
      character*1                     :: uplo_a, uplo_c
773
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
774
775
776
#ifdef USE_ASSUMED_SIZE
      complex(kind=ck8)               :: a(lda,*), b(ldb,*), c(ldc,*)
#else
777
      complex(kind=ck8)               :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
778
#endif
779
      integer, optional               :: error
780
781
      logical                         :: success_l

782
783
      success_l = elpa_mult_ah_b_complex_double_impl(self, uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
                                                     c, ldc, ldcCols)
784
      if (present(error)) then
785
        if (success_l) then
786
          error = ELPA_OK
787
        else
788
          error = ELPA_ERROR
789
790
791
792
793
794
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in multiply_a_b() and you did not check for errors!"
      endif
    end subroutine

795

796
    subroutine elpa_multiply_ah_b_single (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
797
                                          c, ldc, ldcCols, error)
798
      use iso_c_binding
799
      use elpa1_auxiliary_impl
800
      use precision
801
      class(elpa_impl_t)              :: self
802
      character*1                     :: uplo_a, uplo_c
803
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
804
805
806
#ifdef USE_ASSUMED_SIZE
      complex(kind=ck4)               :: a(lda,*), b(ldb,*), c(ldc,*)
#else
807
      complex(kind=ck4)               :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
808
#endif
809
      integer, optional               :: error
810
811
812
      logical                         :: success_l

#ifdef WANT_SINGLE_PRECISION_COMPLEX
813
814
      success_l = elpa_mult_ah_b_complex_single_impl(self, uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
                                                     c, ldc, ldcCols)
815
      if (present(error)) then
816
        if (success_l) then
817
          error = ELPA_OK
818
        else
819
          error = ELPA_ERROR
820
821
822
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in multiply_a_b() and you did not check for errors!"
823
      endif 
824
825
#else
      print *,"This installation of the ELPA library has not been build with single-precision support"
826
      error = ELPA_ERROR
827
828
829
#endif
    end subroutine

830

831
    subroutine elpa_cholesky_double_real (self, a, error)
832
      use iso_c_binding
833
      use elpa1_auxiliary_impl
834
      use precision
835
      class(elpa_impl_t)              :: self
836
837
838
#ifdef USE_ASSUMED_SIZE
      real(kind=rk8)                  :: a(self%local_nrows,*)
#else
839
      real(kind=rk8)                  :: a(self%local_nrows,self%local_ncols)
840
#endif
841
      integer, optional               :: error
842
      logical                         :: success_l
843
      integer(kind=c_int)             :: error_actual
844

845
      success_l = elpa_cholesky_real_double_impl (self, a)
846
      if (present(error)) then
847
        if (success_l) then
848
          error = ELPA_OK
849
        else
850
          error = ELPA_ERROR
851
852
853
854
855
856
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in cholesky() and you did not check for errors!"
      endif
    end subroutine

857

858
    subroutine elpa_cholesky_single_real(self, a, error)
859
      use iso_c_binding
860
      use elpa1_auxiliary_impl
861
      use precision
862
      class(elpa_impl_t)              :: self
863
864
865
#ifdef USE_ASSUMED_SIZE
      real(kind=rk4)                  :: a(self%local_nrows,*)
#else
866
      real(kind=rk4)                  :: a(self%local_nrows,self%local_ncols)
867
#endif
868
      integer, optional               :: error
869
      logical                         :: success_l
870
      integer(kind=c_int)             :: error_actual
871
872

#if WANT_SINGLE_PRECISION_REAL
873
      success_l = elpa_cholesky_real_single_impl (self, a)
874
875
#else
      print *,"This installation of the ELPA library has not been build with single-precision support"