elpa_impl.F90 42.2 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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    !c> int elpa_get_integer(elpa_t handle, const char *name, int *error);
    function elpa_get_integer_for_c(handle, name_p, error) result(value) bind(C, name="elpa_get_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)  :: value
      integer(kind=c_int), optional, intent(inout) :: error

      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      value = elpa_get_integer(self, name, error)
    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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    !c> int elpa_get_double(elpa_t handle, const char *name, int *error);
    function elpa_get_double_for_c(handle, name_p, error) result(value) bind(C, name="elpa_get_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)  :: value
      integer(kind=c_int), optional, intent(inout) :: error

      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      value = elpa_get_double(self, name, error)
    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

546

547
    subroutine elpa_solve_real_single(self, a, ev, q, error)
548 549
      use elpa2_impl
      use elpa1_impl
550
      use elpa_utilities, only : error_unit
551
      use precision
552
      use iso_c_binding
553
      class(elpa_impl_t)  :: self
554 555 556
#ifdef USE_ASSUMED_SIZE
      real(kind=c_float)  :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
557
      real(kind=c_float)  :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
558
#endif
559
      real(kind=c_float)  :: ev(self%na)
560

561 562
      integer, optional   :: error
      integer(kind=c_int) :: error_actual
563
      logical             :: success_l
564

565
#ifdef WANT_SINGLE_PRECISION_REAL
566

567
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
568
        success_l = elpa_solve_evp_real_1stage_single_impl(self, a, ev, q)
569

570
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
571
        success_l = elpa_solve_evp_real_2stage_single_impl(self, a, ev, q)
572 573 574 575
      else
        print *,"unknown solver"
        stop
      endif
576

577
      if (present(error)) then
578
        if (success_l) then
579
          error = ELPA_OK
580
        else
581
          error = ELPA_ERROR
582 583 584 585 586
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
#else
587
      print *,"This installation of the ELPA library has not been build with single-precision support"
588
      error = ELPA_ERROR
589 590 591
#endif
    end subroutine

592

593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609
    !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


610
    subroutine elpa_solve_complex_double(self, a, ev, q, error)
611 612
      use elpa2_impl
      use elpa1_impl
613
      use elpa_utilities, only : error_unit
614
      use precision
615
      use iso_c_binding
616
      class(elpa_impl_t)             :: self
617

618 619 620
#ifdef USE_ASSUMED_SIZE
      complex(kind=c_double_complex) :: a(self%local_nrows, *), q(self%local_nrows, *)
#else
621
      complex(kind=c_double_complex) :: a(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
622
#endif
623
      real(kind=c_double)            :: ev(self%na)
624

625 626
      integer, optional              :: error
      integer(kind=c_int)            :: error_actual
627
      logical                        :: success_l
628

629
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
630
        success_l = elpa_solve_evp_complex_1stage_double_impl(self, a, ev, q)
631

632
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
633
        success_l = elpa_solve_evp_complex_2stage_double_impl(self,  a, ev, q)
634 635 636 637
      else
        print *,"unknown solver"
        stop
      endif
638

639
      if (present(error)) then
640
        if (success_l) then
641
          error = ELPA_OK
642
        else
643
          error = ELPA_ERROR
644 645 646 647 648 649 650
        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


651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668
    !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


669
    subroutine elpa_solve_complex_single(self, a, ev, q, error)
670 671
      use elpa2_impl
      use elpa1_impl
672 673 674
      use elpa_utilities, only : error_unit

      use iso_c_binding
675
      use precision
676
      class(elpa_impl_t)            :: self
677 678 679 680 681 682
#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)
683

684 685
      integer, optional             :: error
      integer(kind=c_int)           :: error_actual
686
      logical                       :: success_l
687 688

#ifdef WANT_SINGLE_PRECISION_COMPLEX
689

690
      if (self%get("solver") .eq. ELPA_SOLVER_1STAGE) then
691
        success_l = elpa_solve_evp_complex_1stage_single_impl(self, a, ev, q)
692

693
      else if (self%get("solver") .eq. ELPA_SOLVER_2STAGE) then
694
        success_l = elpa_solve_evp_complex_2stage_single_impl(self,  a, ev, q)
695 696 697 698
      else
        print *,"unknown solver"
        stop
      endif
699

700
      if (present(error)) then
701
        if (success_l) then
702
          error = ELPA_OK
703
        else
704
          error = ELPA_ERROR
705 706 707 708 709
        endif
      else if (.not. success_l) then
        write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
      endif
#else
710
      print *,"This installation of the ELPA library has not been build with single-precision support"
711
      error = ELPA_ERROR
712 713 714
#endif
    end subroutine

715

716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733
    !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


734
    subroutine elpa_multiply_at_b_double (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
735
                                          c, ldc, ldcCols, error)
736
      use iso_c_binding
737
      use elpa1_auxiliary_impl
738
      use precision
739
      class(elpa_impl_t)              :: self
740
      character*1                     :: uplo_a, uplo_c
741
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
742 743 744
#ifdef USE_ASSUMED_SIZE
      real(kind=rk8)                  :: a(lda,*), b(ldb,*), c(ldc,*)
#else
745
      real(kind=rk8)                  :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
746
#endif
747
      integer, optional               :: error
748 749
      logical                         :: success_l

750 751
      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)
752
      if (present(error)) then
753
        if (success_l) then
754
          error = ELPA_OK
755
        else
756
          error = ELPA_ERROR
757 758 759 760 761 762
        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

763

764
    subroutine elpa_multiply_at_b_single (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
765
                                          c, ldc, ldcCols, error)
766
      use iso_c_binding
767
      use elpa1_auxiliary_impl
768
      use precision
769
      class(elpa_impl_t)              :: self
770
      character*1                     :: uplo_a, uplo_c
771
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
772 773 774
#ifdef USE_ASSUMED_SIZE
      real(kind=rk4)                  :: a(lda,*), b(ldb,*), c(ldc,*)
#else
775
      real(kind=rk4)                  :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
776
#endif
777
      integer, optional               :: error
778 779
      logical                         :: success_l
#ifdef WANT_SINGLE_PRECISION_REAL
780 781
      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)
782
      if (present(error)) then
783
        if (success_l) then
784
          error = ELPA_OK
785
        else
786
          error = ELPA_ERROR
787 788 789 790
        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
791 792
#else
      print *,"This installation of the ELPA library has not been build with single-precision support"
793
      error = ELPA_ERROR
794 795 796
#endif
    end subroutine

797

798
    subroutine elpa_multiply_ah_b_double (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
799
                                          c, ldc, ldcCols, error)
800
      use iso_c_binding
801
      use elpa1_auxiliary_impl
802
      use precision
803
      class(elpa_impl_t)              :: self
804
      character*1                     :: uplo_a, uplo_c
805
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
806 807 808
#ifdef USE_ASSUMED_SIZE
      complex(kind=ck8)               :: a(lda,*), b(ldb,*), c(ldc,*)
#else
809
      complex(kind=ck8)               :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
810
#endif
811
      integer, optional               :: error
812 813
      logical                         :: success_l

814 815
      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)
816
      if (present(error)) then
817
        if (success_l) then
818
          error = ELPA_OK
819
        else
820
          error = ELPA_ERROR
821 822 823 824 825 826
        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

827

828
    subroutine elpa_multiply_ah_b_single (self,uplo_a, uplo_c, na, ncb, a, lda, ldaCols, b, ldb, ldbCols, &
829
                                          c, ldc, ldcCols, error)
830
      use iso_c_binding
831
      use elpa1_auxiliary_impl
832
      use precision
833
      class(elpa_impl_t)              :: self
834
      character*1                     :: uplo_a, uplo_c
835
      integer(kind=ik), intent(in)    :: na, lda, ldaCols, ldb, ldbCols, ldc, ldcCols, ncb
836 837 838
#ifdef USE_ASSUMED_SIZE
      complex(kind=ck4)               :: a(lda,*), b(ldb,*), c(ldc,*)
#else
839
      complex(kind=ck4)               :: a(lda,ldaCols), b(ldb,ldbCols), c(ldc,ldcCols)
840
#endif
841
      integer, optional               :: error
842 843 844
      logical                         :: success_l

#ifdef WANT_SINGLE_PRECISION_COMPLEX
845 846
      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)
847
      if (present(error)) then
848