elpa2_template.X90 18.2 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
!
!    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.
!
!
! ELPA1 -- Faster replacements for ScaLAPACK symmetric eigenvalue routines
!
! Copyright of the original code rests with the authors inside the ELPA
! consortium. The copyright of any additional modifications shall rest
! with their original authors, but shall adhere to the licensing terms
! distributed along with the original code in the file "COPYING".
 function elpa_solve_evp_&
  &MATH_DATATYPE&
  &_&
  &2stage_&
  &PRECISION&
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  &_impl (na, nev, a, lda, ev, q, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm_all,   &
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         time_evp_fwd, time_evp_solve, time_evp_back, summary_timings, useGPU, &
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#if REALCASE == 1
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   THIS_ELPA_KERNEL_API, useQR   &
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#endif
#if COMPLEXCASE == 1
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   THIS_ELPA_KERNEL_API          &
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#endif
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   &) result(success)
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#ifdef HAVE_DETAILED_TIMINGS
   use timings
#else
   use timings_dummy
#endif
   use elpa1_utilities, only : gpu_usage_via_environment_variable
   use elpa1_compute
   use elpa2_compute
   use elpa_mpi
   use cuda_functions
   use mod_check_for_gpu
   use iso_c_binding
   implicit none
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   logical, intent(in)                       :: useGPU
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#if REALCASE == 1
   logical, intent(in), optional             :: useQR
#endif
   logical                                   :: useQRActual, useQREnvironment

   integer(kind=c_int)                       :: bandwidth

   integer(kind=c_int), intent(in), optional :: THIS_ELPA_KERNEL_API
   integer(kind=c_int)                       :: THIS_ELPA_KERNEL

   integer(kind=c_int), intent(in)           :: na, nev, lda, ldq, matrixCols, mpi_comm_rows, &
                                                mpi_comm_cols, mpi_comm_all
   integer(kind=c_int), intent(in)           :: nblk

#ifdef USE_ASSUMED_SIZE
   MATH_DATATYPE(kind=C_DATATYPE_KIND), intent(inout) :: a(lda,*), q(ldq,*)
#else
   MATH_DATATYPE(kind=C_DATATYPE_KIND), intent(inout) :: a(lda,matrixCols), q(ldq,matrixCols)
#endif
   real(kind=C_DATATYPE_KIND), intent(inout) :: ev(na)
   MATH_DATATYPE(kind=C_DATATYPE_KIND), allocatable   :: hh_trans(:,:)

   integer(kind=c_int)                       :: my_pe, n_pes, my_prow, my_pcol, np_rows, np_cols, mpierr
   integer(kind=c_int)                       :: l_cols, l_rows, l_cols_nev, nbw, num_blocks
   MATH_DATATYPE(kind=C_DATATYPE_KIND), allocatable :: tmat(:,:,:)
   real(kind=C_DATATYPE_KIND), allocatable   :: e(:)
#if COMPLEXCASE == 1
   real(kind=C_DATATYPE_KIND), allocatable   :: q_real(:,:)
#endif
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   real(kind=c_double)                       :: time_evp_fwd, time_evp_solve, time_evp_back
   logical, intent(in)                       :: summary_timings
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   integer(kind=c_intptr_t)                  :: tmat_dev, q_dev, a_dev
   real(kind=c_double)                        :: ttt0, ttt1, ttts  ! MPI_WTIME always needs double

   integer(kind=c_int)                       :: i
   logical                                   :: success, successCUDA
   logical, save                             :: firstCall = .true.
   logical                                   :: wantDebug
   integer(kind=c_int)                       :: istat
   character(200)                            :: errorMessage
   logical                                   :: do_useGPU, do_useGPU_trans_ev_tridi
   integer(kind=c_int)                       :: numberOfGPUDevices
   integer(kind=c_intptr_t), parameter       :: size_of_datatype = size_of_&
                                                                   &PRECISION&
                                                                   &_&
                                                                   &MATH_DATATYPE

    call timer%start("solve_evp_&
    &MATH_DATATYPE&
    &_2stage" // &
    &PRECISION_SUFFIX &
    )

    call timer%start("mpi_communication")
    call mpi_comm_rank(mpi_comm_all,my_pe,mpierr)
    call mpi_comm_size(mpi_comm_all,n_pes,mpierr)

    call mpi_comm_rank(mpi_comm_rows,my_prow,mpierr)
    call mpi_comm_size(mpi_comm_rows,np_rows,mpierr)
    call mpi_comm_rank(mpi_comm_cols,my_pcol,mpierr)
    call mpi_comm_size(mpi_comm_cols,np_cols,mpierr)
    call timer%stop("mpi_communication")

    wantDebug = .false.
    if (firstCall) then
      ! are debug messages desired?
      wantDebug = debug_messages_via_environment_variable()
      firstCall = .false.
    endif

    success = .true.

    do_useGPU      = .false.
    do_useGPU_trans_ev_tridi =.false.


#if REALCASE == 1
    useQRActual = .false.
    ! set usage of qr decomposition via API call
    if (present(useQR)) then
      if (useQR) useQRActual = .true.
        if (.not.(useQR)) useQRACtual = .false.
    endif

    ! overwrite this with environment variable settings
    if (qr_decomposition_via_environment_variable(useQREnvironment)) then
      useQRActual = useQREnvironment
    endif

    if (useQRActual) then
      if (mod(na,2) .ne. 0) then
        if (wantDebug) then
          write(error_unit,*) "solve_evp_real_2stage: QR-decomposition: blocksize does not fit with matrixsize"
        endif
        print *, "Do not use QR-decomposition for this matrix and blocksize."
        success = .false.
        return
      endif
    endif
#endif /* REALCASE */

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    if (useGPU) then
      if (check_for_gpu(my_pe,numberOfGPUDevices, wantDebug=wantDebug)) then
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         do_useGPU = .true.

         ! set the neccessary parameters
         cudaMemcpyHostToDevice   = cuda_memcpyHostToDevice()
         cudaMemcpyDeviceToHost   = cuda_memcpyDeviceToHost()
         cudaMemcpyDeviceToDevice = cuda_memcpyDeviceToDevice()
         cudaHostRegisterPortable = cuda_hostRegisterPortable()
         cudaHostRegisterMapped   = cuda_hostRegisterMapped()
      else
        print *,"GPUs are requested but not detected! Aborting..."
        success = .false.
        return
      endif
    else
      ! check whether set by environment variable
      do_useGPU = gpu_usage_via_environment_variable()
      if (do_useGPU) then
        if (check_for_gpu(my_pe,numberOfGPUDevices, wantDebug=wantDebug)) then
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           ! set the neccessary parameters
           cudaMemcpyHostToDevice   = cuda_memcpyHostToDevice()
           cudaMemcpyDeviceToHost   = cuda_memcpyDeviceToHost()
           cudaMemcpyDeviceToDevice = cuda_memcpyDeviceToDevice()
           cudaHostRegisterPortable = cuda_hostRegisterPortable()
           cudaHostRegisterMapped   = cuda_hostRegisterMapped()
        else
          print *,"GPUs are requested but not detected! Aborting..."
          success = .false.
          return
        endif
      endif
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    endif
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    if (present(THIS_ELPA_KERNEL_API)) then
      ! user defined kernel via the optional argument in the API call
      THIS_ELPA_KERNEL = THIS_ELPA_KERNEL_API
    else

      ! if kernel is not choosen via api
      ! check whether set by environment variable
      THIS_ELPA_KERNEL = elpa_get_actual_&
            &MATH_DATATYPE&
            &_kernel()
    endif

    ! check whether choosen kernel is allowed: function returns true if NOT allowed! change this
    if (check_allowed_&
       &MATH_DATATYPE&
       &_kernels(THIS_ELPA_KERNEL)) then

      if (my_pe == 0) then
        write(error_unit,*) " "
        write(error_unit,*) "The choosen kernel ", &
	&MATH_DATATYPE&
	&_ELPA_KERNEL_NAMES(THIS_ELPA_KERNEL)
        write(error_unit,*) "is not in the list of the allowed kernels!"
        write(error_unit,*) " "
        write(error_unit,*) "Allowed kernels are:"
        do i=1,size( &
	&MATH_DATATYPE&
	&_ELPA_KERNEL_NAMES(:))
          if (AVAILABLE_&
	  &MATH_DATATYPE&
	  &_ELPA_KERNELS(i) .ne. 0) then
            write(error_unit,*) &
#if REALCASE == 1
	                        REAL_ELPA_KERNEL_NAMES(i)
#endif
#if COMPLEXCASE == 1
	                        COMPLEX_ELPA_KERNEL_NAMES(i)
#endif
          endif
        enddo

        write(error_unit,*) " "
        ! check whether generic kernel is defined
         if (AVAILABLE_&
	 &MATH_DATATYPE&
	 &_ELPA_KERNELS( &
#if REALCASE == 1
	                REAL_ELPA_KERNEL_GENERIC ) .eq. 1) then
#endif
#if COMPLEXCASE == 1
	                COMPLEX_ELPA_KERNEL_GENERIC ) .eq. 1) then

#endif
           write(error_unit,*) "The default kernel &
	   &MATH_DATATYPE&
	   &( &
	   &_ELPA_KERNEL_GENERIC will be used !"
         else
           write(error_unit,*) "As default kernel ", &
	   &MATH_DATATYPE&
	   &_ELPA_KERNEL_NAMES(DEFAULT_&
	   &MATH_DATATYPE&
	   &_ELPA_KERNEL)," will be used"
         endif
      endif  ! my_pe == 0
      if (AVAILABLE_&
      &MATH_DATATYPE&
      &_ELPA_KERNELS( &
      &MATH_DATATYPE&
      &_ELPA_KERNEL_GENERIC) .eq. 1) then
        THIS_ELPA_KERNEL = &
	&MATH_DATATYPE&
	&_ELPA_KERNEL_GENERIC
      else
        THIS_ELPA_KERNEL = DEFAULT_&
	&MATH_DATATYPE&
	&_ELPA_KERNEL
      endif
    endif

    ! check consistency between request for GPUs and defined kernel
    if (do_useGPU) then
      do_useGPU_trans_ev_tridi = .true.
      if (THIS_ELPA_KERNEL .ne. &
      &MATH_DATATYPE&
      &_ELPA_KERNEL_GPU) then
        write(error_unit,*) "GPU usage has been requested but compute kernel is defined as non-GPU! Aborting..."
        success = .false.
        return
      endif
    endif

!    if (do_useGPU) then
!      if (nblk .ne. 128) then
!        write(error_unit,*) "In case of GPU usage the blocksize for ELPA 2stage has to be 128"
!        success = .false.
!        return
!      endif
!    endif

     if (do_useGPU) then
       if (nblk .ne. 128) then
         ! cannot run on GPU with this blocksize
	 ! disable GPU usage for trans_ev_tridi

         do_useGPU_trans_ev_tridi = .false.
	 THIS_ELPA_KERNEL = MATH_DATATYPE&
	                    &_ELPA_KERNEL_GENERIC
	 ! no data transfer to GPU needed
       endif
     endif

    bandwidth = -1
    if (bandwidth .ne. -1) then
      nbw = bandwidth

      if ((nbw == 0) .or. (mod(nbw, nblk) .ne. 0)) then
        if (wantDebug) then
          write(error_unit,*) "Specified bandwidth has to be a multiple of blocksize"
        endif
        print *, "Specified bandwidth has to be a multiple of blocksize"
        success = .false.
        return
      endif

      ttts = MPI_Wtime()
    else

      ! Choose bandwidth, must be a multiple of nblk, set to a value >= 32
      ! On older systems (IBM Bluegene/P, Intel Nehalem) a value of 32 was optimal.
      ! For Intel(R) Xeon(R) E5 v2 and v3, better use 64 instead of 32!
      ! For IBM Bluegene/Q this is not clear at the moment. We have to keep an eye
      ! on this and maybe allow a run-time optimization here
      if (do_useGPU) then
        nbw = nblk
      else
#if REALCASE == 1
        nbw = (63/nblk+1)*nblk
#elif COMPLEXCASE == 1
        nbw = (31/nblk+1)*nblk
#endif
      endif

      num_blocks = (na-1)/nbw + 1

      allocate(tmat(nbw,nbw,num_blocks), stat=istat, errmsg=errorMessage)
      if (istat .ne. 0) then
        print *,"solve_evp_&
	&MATH_DATATYPE&
	&_2stage_&
	&PRECISION&
	&" // ": error when allocating tmat "//errorMessage
        stop 1
      endif

      ! Reduction full -> band

      ttt0 = MPI_Wtime()
      ttts = ttt0
      call bandred_&
      &MATH_DATATYPE&
      &_&
      &PRECISION &
      (na, a, &
       a_dev, lda, nblk, nbw, matrixCols, num_blocks, mpi_comm_rows, mpi_comm_cols, tmat, &
       tmat_dev,  wantDebug, do_useGPU, success &
#if REALCASE == 1
       , useQRActual &
#endif
       )
      if (.not.(success)) return
      ttt1 = MPI_Wtime()
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      if (my_prow==0 .and. my_pcol==0 .and. summary_timings) &
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        write(error_unit,*) "Time " // "bandred_&
	&MATH_DATATYPE&
	&_&
	&PRECISION " // "               :",ttt1-ttt0

    end if  ! matrix not already banded on input

     ! Reduction band -> tridiagonal

     allocate(e(na), stat=istat, errmsg=errorMessage)
     if (istat .ne. 0) then
       print *,"solve_evp_&
       &MATH_DATATYPE&
       &_2stage_&
       &PRECISION " // ": error when allocating e "//errorMessage
       stop 1
     endif

     ttt0 = MPI_Wtime()

     call tridiag_band_&
     &MATH_DATATYPE&
     &_&
     &PRECISION&
     (na, nbw, nblk, a, a_dev, lda, ev, e, matrixCols, hh_trans, mpi_comm_rows, mpi_comm_cols, mpi_comm_all, do_useGPU)

     ttt1 = MPI_Wtime()
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     if (my_prow==0 .and. my_pcol==0 .and. summary_timings) &
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       write(error_unit,*) "Time " // "tridiag_band_&
       &MATH_DATATYPE&
       &_&
       &PRECISION " // "          :",ttt1-ttt0

#ifdef WITH_MPI
     call timer%start("mpi_communication")
     call mpi_bcast(ev, na, MPI_REAL_PRECISION, 0, mpi_comm_all, mpierr)
     call mpi_bcast(e, na, MPI_REAL_PRECISION, 0, mpi_comm_all, mpierr)
     call timer%stop("mpi_communication")
#endif /* WITH_MPI */
     ttt1 = MPI_Wtime()
     time_evp_fwd = ttt1-ttts

#if COMPLEXCASE == 1
     l_rows = local_index(na, my_prow, np_rows, nblk, -1) ! Local rows of a and q
     l_cols = local_index(na, my_pcol, np_cols, nblk, -1) ! Local columns of q
     l_cols_nev = local_index(nev, my_pcol, np_cols, nblk, -1) ! Local columns corresponding to nev

     allocate(q_real(l_rows,l_cols), stat=istat, errmsg=errorMessage)
     if (istat .ne. 0) then
       print *,"solve_evp_&
       &MATH_DATATYPE&
       &_2stage: error when allocating q_real"//errorMessage
       stop 1
     endif
#endif

     ! Solve tridiagonal system

     ttt0 = MPI_Wtime()
     call solve_tridi_&
     &PRECISION &
     (na, nev, ev, e, &
#if REALCASE == 1
     q, ldq,   &
#endif
#if COMPLEXCASE == 1
     q_real, ubound(q_real,dim=1), &
#endif
     nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug, success)

     if (.not.(success)) return

     ttt1 = MPI_Wtime()
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     if (my_prow==0 .and. my_pcol==0 .and. summary_timings) &
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     write(error_unit,*) 'Time solve_tridi                :',ttt1-ttt0
     time_evp_solve = ttt1-ttt0
     ttts = ttt1

     deallocate(e, stat=istat, errmsg=errorMessage)
     if (istat .ne. 0) then
       print *,"solve_evp_&
       &MATH_DATATYPE&
       &_2stage: error when deallocating e "//errorMessage
       stop 1
     endif

#if COMPLEXCASE == 1
     q(1:l_rows,1:l_cols_nev) = q_real(1:l_rows,1:l_cols_nev)

     deallocate(q_real, stat=istat, errmsg=errorMessage)
     if (istat .ne. 0) then
       print *,"solve_evp_&
       &MATH_DATATYPE&
       &_2stage: error when deallocating q_real"//errorMessage
       stop 1
     endif
#endif
     ! Backtransform stage 1

     ttt0 = MPI_Wtime()

     call trans_ev_tridi_to_band_&
     &MATH_DATATYPE&
     &_&
     &PRECISION &
     (na, nev, nblk, nbw, q, &
     q_dev, &
     ldq, matrixCols, hh_trans, mpi_comm_rows, mpi_comm_cols, wantDebug, do_useGPU_trans_ev_tridi, &
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     summary_timings, success, THIS_ELPA_KERNEL)
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     if (.not.(success)) return
     ttt1 = MPI_Wtime()
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     if (my_prow==0 .and. my_pcol==0 .and. summary_timings) &
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       write(error_unit,*) "Time " // "trans_ev_tridi_to_band_&
       &MATH_DATATYPE&
       &_&
       &PRECISION " // " :",ttt1-ttt0

     ! We can now deallocate the stored householder vectors
     deallocate(hh_trans, stat=istat, errmsg=errorMessage)
     if (istat .ne. 0) then
       print *, "solve_evp_&
       &MATH_DATATYPE&
       &_2stage_&
       &PRECISION " // ": error when deallocating hh_trans "//errorMessage
       stop 1
     endif

     if( bandwidth .ne. -1) then
       time_evp_back = ttt1-ttts
     else

       if ( (do_useGPU) .and. .not.(do_useGPU_trans_ev_tridi) ) then
         ! copy to device if we want to continue on GPU
         successCUDA = cuda_malloc(q_dev, ldq*matrixCols*size_of_datatype)

         successCUDA = cuda_memcpy(q_dev, loc(q), ldq*matrixCols* size_of_datatype, cudaMemcpyHostToDevice)
       endif

       ! Backtransform stage 2
       ttt0 = MPI_Wtime()
       call trans_ev_band_to_full_&
       &MATH_DATATYPE&
       &_&
       &PRECISION &
       (na, nev, nblk, nbw, a, &
        a_dev, lda, tmat, tmat_dev,  q,  &
        q_dev, &
        ldq, matrixCols, num_blocks, mpi_comm_rows, mpi_comm_cols, do_useGPU &
#if REALCASE == 1
        , useQRActual  &
#endif
        )

       ttt1 = MPI_Wtime()
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       if (my_prow==0 .and. my_pcol==0 .and. summary_timings) &
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         write(error_unit,*) "Time " // "trans_ev_band_to_full_&
	 &MATH_DATATYPE&
	 &_&
	 &PRECISION " // " :",ttt1-ttt0

       time_evp_back = ttt1-ttts

       deallocate(tmat, stat=istat, errmsg=errorMessage)
       if (istat .ne. 0) then
         print *,"solve_evp_&
	 &MATH_DATATYPE&
	 _2stage_&
	 &PRECISION " // ": error when deallocating tmat"//errorMessage
         stop 1
       endif
     endif

     call timer%stop("solve_evp_&
     &MATH_DATATYPE&
     &_2stage" // &
     &PRECISION_SUFFIX &
     )
1    format(a,f10.3)

   end function elpa_solve_evp_&
   &MATH_DATATYPE&
   &_2stage_&
   &PRECISION&
575
   &_impl