legacy_complex_invert_trm.F90 9.64 KB
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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
!
!
!    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.
!
!
#include "config-f90.h"
!>

program test_invert_trm

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   use elpa1
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   use elpa_utilities, only : error_unit
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   use test_util

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   use test_read_input_parameters
   use test_check_correctness
   use test_setup_mpi
   use test_blacs_infrastructure
   use test_prepare_matrix
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#ifdef HAVE_REDIRECT
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   use test_redirect
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#endif
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  use test_output_type
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   implicit none

   !-------------------------------------------------------------------------------
   ! Please set system size parameters below!
   ! na:   System size
   ! nev:  Number of eigenvectors to be calculated
   ! nblk: Blocking factor in block cyclic distribution
   !-------------------------------------------------------------------------------
   integer(kind=ik)           :: nblk
   integer(kind=ik)           :: na, nev

   integer(kind=ik)           :: np_rows, np_cols, na_rows, na_cols

   integer(kind=ik)           :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
   integer(kind=ik)           :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol

   integer, external          :: numroc

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   real(kind=rk8), allocatable    :: ev(:)
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   complex(kind=ck8), allocatable :: a(:,:), b(:,:), c(:,:), z(:,:), tmp1(:,:), tmp2(:,:), as(:,:)
   complex(kind=ck8), allocatable :: d(:), e(:), bs(:,:)
   complex(kind=rk8)              :: diagonalElement, subdiagonalElement
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   integer(kind=ik)           :: loctmp ,rowLocal, colLocal
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   complex(kind=ck8), parameter   :: CZERO = (0._rk8,0._rk8), CONE = (1._rk8,0._rk8)
   real(kind=rk8)              :: norm, normmax
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#ifdef WITH_MPI
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   real(kind=rk8)              :: pzlange
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#else
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   real(kind=rk8)              :: zlange
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#endif

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   complex(kind=ck8), parameter   :: pi = (3.141592653589793238462643383279_rk8, 0._rk8)
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   integer(kind=ik)           :: STATUS
#ifdef WITH_OPENMP
   integer(kind=ik)           :: omp_get_max_threads,  required_mpi_thread_level, &
                                 provided_mpi_thread_level
#endif
   type(output_t)             :: write_to_file
   logical                    :: success
   character(len=8)           :: task_suffix
   integer(kind=ik)           :: j
   !-------------------------------------------------------------------------------

   success = .true.

   call read_input_parameters(na, nev, nblk, write_to_file)

   !-------------------------------------------------------------------------------
   !  MPI Initialization
   call setup_mpi(myid, nprocs)

   STATUS = 0

   do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
      if(mod(nprocs,np_cols) == 0 ) exit
   enddo

   ! at the end of the above loop, nprocs is always divisible by np_cols

   np_rows = nprocs/np_cols

   if(myid==0) then
      print '(3(a,i0))','Matrix size=',na,', Block size=',nblk
      print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
      print *
   endif

   !-------------------------------------------------------------------------------
   ! Set up BLACS context and MPI communicators
   !
   ! The BLACS context is only necessary for using Scalapack.
   !
   ! For ELPA, the MPI communicators along rows/cols are sufficient,
   ! and the grid setup may be done in an arbitrary way as long as it is
   ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
   ! process has a unique (my_prow,my_pcol) pair).

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   call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
                         my_blacs_ctxt, my_prow, my_pcol)
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   if (myid==0) then
     print '(a)','| Past BLACS_Gridinfo.'
   end if

   ! All ELPA routines need MPI communicators for communicating within
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   ! rows or columns of processes, these are set in elpa_get_communicators.
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   mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
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                                   mpi_comm_rows, mpi_comm_cols)

   if (myid==0) then
     print '(a)','| Past split communicator setup for rows and columns.'
   end if

   call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
                                na_rows, na_cols, sc_desc, my_blacs_ctxt, info)

   if (myid==0) then
     print '(a)','| Past scalapack descriptor setup.'
   end if

   !-------------------------------------------------------------------------------
   ! Allocate matrices and set up a test matrix for the eigenvalue problem
   allocate(a (na_rows,na_cols))
   allocate(b (na_rows,na_cols))
   allocate(bs(na_rows,na_cols))
   allocate(c (na_rows,na_cols))

   allocate(z (na_rows,na_cols))
   allocate(as(na_rows,na_cols))

   allocate(ev(na))
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   call prepare_matrix_random(na, myid, sc_desc, b, z, bs)
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   bs(:,:) = b(:,:)

    a(:,:) = CONE - CONE
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    diagonalElement = (2.546_rk8, 0.0_rk8)
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    do i = 1, na
      if (map_global_array_index_to_local_index(i, i, rowLocal, colLocal, nblk, np_rows, np_cols, my_prow, my_pcol)) then
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        a(rowLocal,colLocal) = diagonalElement * abs(cos( pi*real(i,kind=rk8)/ real(na+1,kind=rk8) ))
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      endif
    enddo
    as(:,:) = a(:,:)

   !-------------------------------------------------------------------------------
   ! Calculate eigenvalues/eigenvectors

   if (myid==0) then
     print '(a)','| Setting up tridiagonal matrix ... '
     print *
   end if
#ifdef WITH_MPI
   call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
#endif

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   success = elpa_cholesky_complex_double(na, a, na_rows, nblk, na_cols, mpi_comm_rows, mpi_comm_cols, .true.)
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   if (.not.(success)) then
      write(error_unit,*) " elpa_cholesky_complex produced an error! Aborting..."
#ifdef WITH_MPI
      call MPI_ABORT(mpi_comm_world, 1, mpierr)
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#else
      call exit(1)
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#endif
   endif

   as(:,:) = a(:,:)

   if (myid==0) then
     print '(a)','| Setting up tridiagonal matrix complete.'
     print *
   end if

   if (myid==0) then
     print '(a)','| Inverting tridiagonal matrix ... '
     print *
   end if
#ifdef WITH_MPI
   call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
#endif

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   success = elpa_invert_trm_complex_double(na, a, na_rows, nblk, na_cols, mpi_comm_rows, mpi_comm_cols, .true.)
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   if (.not.(success)) then
      write(error_unit,*) " elpa_invert_trm_complex produced an error! Aborting..."
#ifdef WITH_MPI
      call MPI_ABORT(mpi_comm_world, 1, mpierr)
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#else
      call exit(1)
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#endif
   endif


   if (myid==0) then
     print '(a)','| Inversion of tridiagonal matrix complete.'
     print *
   end if

   !-------------------------------------------------------------------------------
   ! Test correctness of result (using plain scalapack routines)
   allocate(tmp1(na_rows,na_cols))
   allocate(tmp2(na_rows,na_cols))

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   tmp1(:,:) = 0.0_ck8
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   ! tmp1 = a * a^-1 ! should be unity matrix
#ifdef WITH_MPI
   call pzgemm("N","N", na, na, na, CONE, as, 1, 1, sc_desc, a, 1, 1, &
               sc_desc, CZERO, tmp1, 1, 1, sc_desc)
#else
   call zgemm("N","N", na, na, na, CONE, as, na, a, na, CZERO, tmp1, na)
#endif

   ! tmp2 = b * tmp1
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   tmp2(:,:) = 0.0_ck8
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#ifdef WITH_MPI
   call pzgemm("N","N", na, na, na, CONE, b, 1, 1, sc_desc, tmp1, 1, 1, &
               sc_desc, CZERO, tmp2, 1, 1, sc_desc)
#else
   call zgemm("N","N", na, na, na, CONE, b, na, tmp1, na, CZERO, tmp2, na)
#endif

   ! compare tmp2 with c
   tmp2(:,:) = tmp2(:,:) - bs(:,:)
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   tmp1(:,:) = 0.0_ck8
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#ifdef WITH_MPI
   norm = pzlange("M",na, na, tmp2, 1, 1, sc_desc, tmp1)
#else
   norm = zlange("M",na, na, tmp2, na_rows, tmp1)
#endif
#ifdef WITH_MPI
   call mpi_allreduce(norm,normmax,1,MPI_REAL8,MPI_MAX,MPI_COMM_WORLD,mpierr)
#else
   normmax = norm
#endif
   if (myid .eq. 0) then
     print *," Maximum error of result: ", normmax
   endif

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   if (normmax .gt. 5e-11_rk8) then
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        status = 1
   endif

   deallocate(a)
   deallocate(b)
   deallocate(bs)
   deallocate(c)

   deallocate(as)

   deallocate(z)
   deallocate(tmp1)
   deallocate(tmp2)
   deallocate(ev)


#ifdef WITH_MPI
   call blacs_gridexit(my_blacs_ctxt)
   call mpi_finalize(mpierr)
#endif

   call EXIT(STATUS)


end

!-------------------------------------------------------------------------------