Adapt legacy interface to new API

The legacy API is has been (internally) ported to use the new interface.
The intent is that users of the legacy API do not have to change their
codes.

Next step is to completely adapt the .gitlab-ci.yml file

configure.ac

@@ -547,8 +547,8 @@ dnl Deal with --with-fixed-[real|complex]-kernel arguments
 m4_foreach_w([elpa_m4_kind],[real complex],[
         AC_ARG_WITH([fixed-]elpa_m4_kind[-kernel], m4_expand([AS_HELP_STRING([--with-fixed-]elpa_m4_kind[-kernel]=KERNEL,
                 [compile with only a single specific ]elpa_m4_kind[ kernel. Available kernels are:]
-                 m4_expand(elpa_m4_[]elpa_m4_kind[]_kernels))]),
-                 [fixed_]elpa_m4_kind[_kernel="$withval"],[fixed_]elpa_m4_kind[_kernel=""])
+                 m4_foreach_w([elpa_m4_kernel],m4_expand(elpa_m4_[]elpa_m4_kind[]_kernels),[m4_bpatsubst(elpa_m4_kernel,elpa_m4_kind[]_,[]) ]))]),
+                 [fixed_]elpa_m4_kind[_kernel="]elpa_m4_kind[_$withval"],[fixed_]elpa_m4_kind[_kernel=""])
         if test -n "$fixed_[]elpa_m4_kind[]_kernel" ; then
                 m4_foreach_w([elpa_m4_otherkernel],m4_expand(elpa_m4_[]elpa_m4_kind[]_kernels),[
                         if test "$fixed_]elpa_m4_kind[_kernel" = "]elpa_m4_otherkernel[" ; then

generated_headers.am

@@ -29,9 +29,9 @@ elpa/elpa_generated_fortran_interfaces.h: $(wildcard $(top_srcdir)/src/elpa2/ker
 	$(call extract_interface,#!f>)
 
 src/fortran_constants.X90: $(top_srcdir)/src/fortran_constants.h
-	$(CPP) $(CPPFLAGS) -I$(top_builddir)/ -I$(top_srcdir)/ -I. $< -o $@_ || { rm -f $@; exit 1; }
-	awk '/!ELPA_C_DEFINE/ {gsub(/!ELPA_C_DEFINE/, "\n"); gsub(/NEWLINE/, "\n"); print;}' < $@_ > $@ || { rm -f $@; exit 1; }
-	rm $@_
+	@$(CPP) $(CPPFLAGS) -I$(top_builddir)/ -I$(top_srcdir)/ -I. $< -o $@_ || { rm -f $@; exit 1; }
+	@awk '/!ELPA_C_DEFINE/ {gsub(/!ELPA_C_DEFINE/, "\n"); gsub(/NEWLINE/, "\n"); print;}' < $@_ > $@ || { rm -f $@; exit 1; }
+	@rm $@_
 
 
 generated_headers= config-f90.h elpa/elpa_generated.h test/shared/generated.h elpa/elpa_generated_fortran_interfaces.h src/fortran_constants.X90

src/elpa1/legacy_interface/elpa1_auxiliary_legacy.F90

@@ -286,11 +286,10 @@ module ELPA1_AUXILIARY
 #include "../../general/precision_macros.h"
 
 
-   function elpa_cholesky_real_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, &
-                                            wantDebug) result(success)
+    function elpa_cholesky_real_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, &
+                                             wantDebug) result(success)
 #include "./elpa_cholesky_template_legacy.X90"
-
-    end function elpa_cholesky_real_double
+    end function
 
 #ifdef WANT_SINGLE_PRECISION_REAL
 #define REALCASE 1
@@ -314,11 +313,10 @@ module ELPA1_AUXILIARY
 !> \param wantDebug             logical, more debug information on failure
 !> \param succes                logical, reports success or failure
 
-   function elpa_cholesky_real_single(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, &
+    function elpa_cholesky_real_single(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, &
                                             wantDebug) result(success)
 #include "./elpa_cholesky_template_legacy.X90"
-
-    end function elpa_cholesky_real_single
+    end function
 
 #endif /* WANT_SINGLE_PRECSION_REAL */
 
@@ -339,9 +337,9 @@ module ELPA1_AUXILIARY
 !> \param  mpi_comm_cols        MPI communicator for columns
 !> \param wantDebug             logical, more debug information on failure
 !> \result succes               logical, reports success or failure
-    function elpa_invert_trm_real_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
+     function elpa_invert_trm_real_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
 #include "./elpa_invert_trm_legacy.X90"
-     end function elpa_invert_trm_real_double
+     end function
 
 #if WANT_SINGLE_PRECISION_REAL
 #define REALCASE 1
@@ -364,7 +362,7 @@ module ELPA1_AUXILIARY
 !> \result succes               logical, reports success or failure
     function elpa_invert_trm_real_single(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
 #include "./elpa_invert_trm_legacy.X90"
-    end function elpa_invert_trm_real_single
+    end function
 
 #endif /* WANT_SINGLE_PRECISION_REAL */
 
@@ -389,10 +387,8 @@ module ELPA1_AUXILIARY
 !> \param wantDebug             logical, more debug information on failure
 !> \result succes               logical, reports success or failure
     function elpa_cholesky_complex_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
-
 #include "./elpa_cholesky_template_legacy.X90"
-
-    end function elpa_cholesky_complex_double
+    end function
 
 
 #ifdef WANT_SINGLE_PRECISION_COMPLEX
@@ -416,10 +412,8 @@ module ELPA1_AUXILIARY
 !> \param wantDebug             logical, more debug information on failure
 !> \result succes               logical, reports success or failure
     function elpa_cholesky_complex_single(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
-
 #include "./elpa_cholesky_template_legacy.X90"
-
-    end function elpa_cholesky_complex_single
+    end function
 
 #endif /* WANT_SINGLE_PRECISION_COMPLEX */
 
@@ -442,9 +436,9 @@ module ELPA1_AUXILIARY
 !> \param wantDebug             logical, more debug information on failure
 !> \result succes               logical, reports success or failure
 
-     function elpa_invert_trm_complex_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
+    function elpa_invert_trm_complex_double(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
 #include "./elpa_invert_trm_legacy.X90"
-    end function elpa_invert_trm_complex_double
+    end function
 
 #ifdef WANT_SINGLE_PRECISION_COMPLEX
 #define COMPLEXCASE 1
@@ -468,7 +462,7 @@ module ELPA1_AUXILIARY
 
     function elpa_invert_trm_complex_single(na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug) result(success)
 #include "./elpa_invert_trm_legacy.X90"
-    end function elpa_invert_trm_complex_single
+    end function
 
 #endif /* WANT_SINGE_PRECISION_COMPLEX */
 

src/elpa1/legacy_interface/elpa1_template_legacy.X90

@@ -68,7 +68,7 @@ function elpa_solve_evp_&
 #endif
    use iso_c_binding
    use elpa_mpi
-   use elpa_type
+   use elpa
    implicit none
 
    integer(kind=c_int), intent(in)                 :: na, nev, lda, ldq, nblk, matrixCols, mpi_comm_rows, &
@@ -103,7 +103,7 @@ function elpa_solve_evp_&
 
    integer(kind=c_int)                             :: successInternal
 
-   type(elpa_t)                                    :: e
+   class(elpa_t), pointer                          :: e
    call timer%start("elpa_solve_evp_&
    &MATH_DATATYPE&
    &_1stage_&
@@ -120,7 +120,7 @@ function elpa_solve_evp_&
      return
    endif
 
-   e = elpa_allocate()
+   e => elpa_allocate()
 
    call e%set("na", na)
    call e%set("nev", nev)
@@ -185,7 +185,7 @@ function elpa_solve_evp_&
      time_evp_solve = e%get_double("time_evp_solve")
      time_evp_back =  e%get_double("time_evp_back")
    endif
-   call e%destroy()
+   call elpa_deallocate(e)
 
    call elpa_uninit()
 

src/elpa1/legacy_interface/elpa_cholesky_template_legacy.X90

@@ -43,17 +43,14 @@
 !    the original distribution, the GNU Lesser General Public License.
 
 #include "../../general/sanity.X90"
-     use elpa_type
-!     use elpa1_compute
-!     use elpa_utilities
-     use elpa_mpi
+      use elpa
 #ifdef HAVE_DETAILED_TIMINGS
-     use timings
+      use timings
 #else
-     use timings_dummy
+      use timings_dummy
 #endif
-     use precision
-     implicit none
+      use precision
+      implicit none
 
       integer(kind=ik)              :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
 #if REALCASE == 1
@@ -70,26 +67,12 @@
       complex(kind=COMPLEX_DATATYPE)   :: a(lda,matrixCols)
 #endif
 #endif
-!      integer(kind=ik)              :: my_prow, my_pcol, np_rows, np_cols, mpierr
-       integer(kind=ik)              :: nev
-!      integer(kind=ik)              :: l_cols, l_rows, l_col1, l_row1, l_colx, l_rowx
-!      integer(kind=ik)              :: n, nc, i, info
-!      integer(kind=ik)              :: lcs, lce, lrs, lre
-!      integer(kind=ik)              :: tile_size, l_rows_tile, l_cols_tile
-
-!#if REALCASE == 1
-!      real(kind=REAL_DATATYPE), allocatable    :: tmp1(:), tmp2(:,:), tmatr(:,:), tmatc(:,:)
-!#endif
-!#if COMPLEXCASE == 1
-!      complex(kind=COMPLEX_DATATYPE), allocatable    :: tmp1(:), tmp2(:,:), tmatr(:,:), tmatc(:,:)
-!#endif
+      integer(kind=ik)              :: nev
       logical, intent(in)           :: wantDebug
       logical                       :: success
       integer(kind=ik)                            :: successInternal
-!      integer(kind=ik)              :: istat
-!      character(200)                :: errorMessage
 
-      type(elpa_t)                 :: e
+      class(elpa_t), pointer       :: e
 
       call timer%start("elpa_cholesky_&
       &MATH_DATATYPE&
@@ -105,7 +88,7 @@
         return
       endif
 
-      e = elpa_allocate()
+      e => elpa_allocate()
 
       call e%set("na", na)
       call e%set("nev", nev)
@@ -131,7 +114,7 @@
       else
         success =.true.
       endif
-      call e%destroy()
+      call elpa_deallocate(e)
 
       call elpa_uninit()
 

src/elpa1/legacy_interface/elpa_invert_trm_legacy.X90

@@ -53,7 +53,7 @@
 #include "../../general/sanity.X90"
 
        use precision
-       use elpa_type
+       use elpa
 !       use elpa1_compute
 !       use elpa_utilities
        use elpa_mpi
@@ -96,7 +96,7 @@
 !      character(200)               :: errorMessage
 
        integer(kind=iK)            :: successInternal
-       type(elpa_t)                :: e
+       class(elpa_t), pointer      :: e
 
        call timer%start("elpa_invert_trm_&
        &MATH_DATATYPE&
@@ -112,7 +112,7 @@
          return
        endif
 
-       e = elpa_allocate()
+       e => elpa_allocate()
 
        call e%set("na", na)
        call e%set("local_nrows", lda)
@@ -137,7 +137,7 @@
        else
          success =.true.
        endif
-       call e%destroy()
+       call elpa_deallocate(e)
 
        call elpa_uninit()
 

src/elpa1/legacy_interface/elpa_multiply_a_b_legacy.X90

@@ -54,7 +54,7 @@
 
 
 #include "../../general/sanity.X90"
-      use elpa_type
+      use elpa
 #ifdef HAVE_DETAILED_TIMINGS
       use timings
 #else
@@ -101,7 +101,7 @@
 !      character(200)                              :: errorMessage
       logical                                     :: success
       integer(kind=ik)                            :: successInternal
-      type(elpa_t)                                :: e
+      class(elpa_t), pointer                      :: e
 
       call timer%start("elpa_mult_at_b_&
       &MATH_DATATYPE&
@@ -125,7 +125,7 @@
         return
       endif
 
-      e = elpa_allocate()
+      e => elpa_allocate()
 
       call e%set("na", na)
       call e%set("local_nrows", lda)
@@ -149,7 +149,7 @@
         success = .false.
         return
       endif
-      call e%destroy()
+      call elpa_deallocate(e)
 
       call elpa_uninit()
 

src/elpa1/legacy_interface/elpa_solve_tridi_legacy.X90

@@ -75,7 +75,7 @@
       logical, intent(in)      :: wantDebug
       logical :: success
       integer(kind=iK)            :: successInternal
-      type(elpa_t)                :: elpa
+      class(elpa_t), pointer      :: obj
 
       call timer%start("elpa_solve_tridi_&
       &PRECISION&
@@ -88,24 +88,24 @@
         success = .false.
       endif
 
-      elpa = elpa_allocate()
+      obj => elpa_allocate()
 
-      call elpa%set("na", na)
-      call elpa%set("nev", nev)
-      call elpa%set("local_nrows", ldq)
-      call elpa%set("local_ncols", matrixCols)
-      call elpa%set("nblk", nblk)
+      call obj%set("na", na)
+      call obj%set("nev", nev)
+      call obj%set("local_nrows", ldq)
+      call obj%set("local_ncols", matrixCols)
+      call obj%set("nblk", nblk)
 
-      call elpa%set("mpi_comm_rows", mpi_comm_rows)
-      call elpa%set("mpi_comm_cols", mpi_comm_cols)
+      call obj%set("mpi_comm_rows", mpi_comm_rows)
+      call obj%set("mpi_comm_cols", mpi_comm_cols)
 
-      if (elpa%setup() .ne. ELPA_OK) then
+      if (obj%setup() .ne. ELPA_OK) then
         print *, "Cannot setup ELPA instance"
         success = .false.
         return
       endif
 
-      call elpa%solve_tridi(d(1:na), e(1:na), q(1:ldq,1:matrixCols), successInternal)
+      call obj%solve_tridi(d(1:na), e(1:na), q(1:ldq,1:matrixCols), successInternal)
 
       if (successInternal .ne. ELPA_OK) then
         print *, "Cannot run solve_tridi"
@@ -115,7 +115,7 @@
       else
         success =.true.
       endif
-      call elpa%destroy()
+      call elpa_deallocate(obj)
 
       call elpa_uninit()
 

src/elpa2/elpa2_print_kernels.F90

@@ -65,8 +65,8 @@
 !> Synopsis: print_available_elpa2_kernels
 !>
 !> \author A. Marek (MPCDF)
-program print_available_elpa2_kernels
 
+program print_available_elpa2_kernels
    use precision
    use elpa
 
@@ -74,6 +74,7 @@ program print_available_elpa2_kernels
 
    integer(kind=ik) :: i
    class(elpa_t), pointer :: e
+   integer :: option
 
    if (elpa_init(CURRENT_API_VERSION) /= ELPA_OK) then
      print *, "Unsupported ELPA API Version"
@@ -108,7 +109,7 @@ program print_available_elpa2_kernels
    print *, " AVX kernels are optimized for FMA (AVX2)"
 #endif
    print *
-   call e%print_options("real_kernel")
+   call print_options(e, "real_kernel")
    print *
    print *
 
@@ -126,10 +127,25 @@ program print_available_elpa2_kernels
    print *, " AVX kernels are optimized for FMA (AVX2)"
 #endif
    print *
-   call e%print_options("complex_kernel")
+   call print_options(e, "complex_kernel")
    print *
    print *
 
    call elpa_deallocate(e)
 
+   contains
+
+     subroutine print_options(e, option_name)
+       class(elpa_t), intent(in) :: e
+       character(len=*), intent(in) :: option_name
+       integer :: i, option
+
+       do i = 0, elpa_option_cardinality(option_name) - 1
+         option = elpa_option_enumerate(option_name, i)
+         if (e%can_set(option_name, option) == ELPA_OK) then
+           print *, "  ", elpa_int_value_to_string(option_name, option)
+         endif
+       end do
+     end subroutine
+
 end program print_available_elpa2_kernels

src/elpa2/legacy_interface/elpa2_template_legacy.X90

@@ -69,7 +69,7 @@
    use timings_dummy
 #endif
    use iso_c_binding
-   use elpa_type
+   use elpa
    use elpa_mpi
 
    implicit none
@@ -95,7 +95,7 @@
    logical                                   :: success
 
    integer(kind=c_int)                       :: successInternal
-   type(elpa_t)                              :: e
+   class(elpa_t), pointer                    :: e
 
     call timer%start("solve_evp_&
     &MATH_DATATYPE&
@@ -113,7 +113,7 @@
       return
     endif
 
-    e = elpa_allocate()
+    e => elpa_allocate()
 
     call e%set("na", na)
     call e%set("nev", nev)
@@ -215,12 +215,12 @@
     endif
 
     if (elpa_print_times) then
-      time_evp_fwd   = e%get("time_evp_fwd")
-      time_evp_solve = e%get("time_evp_solve")
-      time_evp_back  = e%get("time_evp_back")
+      time_evp_fwd   = e%get_double("time_evp_fwd")
+      time_evp_solve = e%get_double("time_evp_solve")
+      time_evp_back  = e%get_double("time_evp_back")
     endif
 
-    call e%destroy()
+    call elpa_deallocate(e)
 
     call elpa_uninit()
 

src/elpa2/legacy_interface/elpa2_utilities_private_legacy.F90

-!    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.
-!
-!
-! ELPA2 -- 2-stage solver for ELPA
-!
-! 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".
-!
-! Author: Andreas Marek, MPCDF
-
-
-#include "config-f90.h"
-
-module elpa2_utilities_private
-  use elpa_utilities
-  use precision
-  implicit none
-
-  contains
-
-    function elpa_get_actual_real_kernel() result(actual_kernel)
-      use elpa_constants
-      use precision
-      implicit none
-
-      integer(kind=ik) :: actual_kernel
-
-      ! if kernel is not choosen via api
-      ! check whether set by environment variable
-      actual_kernel = real_kernel_via_environment_variable()
-
-      if (actual_kernel .eq. 0) then
-        ! if not then set default kernel
-        actual_kernel = ELPA_2STAGE_REAL_DEFAULT
-      endif
-
-    end function elpa_get_actual_real_kernel
-
-    function elpa_get_actual_complex_kernel() result(actual_kernel)
-      use elpa2_constants
-      use precision
-      implicit none
-      integer(kind=ik) :: actual_kernel
-
-     ! if kernel is not choosen via api
-     ! check whether set by environment variable
-     actual_kernel = complex_kernel_via_environment_variable()
-
-     if (actual_kernel .eq. 0) then
-       ! if not then set default kernel
-       actual_kernel = ELPA_2STAGE_COMPLEX_DEFAULT
-     endif
-
-   end function elpa_get_actual_complex_kernel
-
-
-   function qr_decomposition_via_environment_variable(useQR) result(isSet)
-     use elpa2_utilities
-     use precision
-     implicit none
-     logical, intent(out) :: useQR
-     logical              :: isSet
-     character(len=255)   :: ELPA_QR_DECOMPOSITION
-
-     isSet = .false.
-
-#if defined(HAVE_ENVIRONMENT_CHECKING)
-     call get_environment_variable("ELPA_QR_DECOMPOSITION",ELPA_QR_DECOMPOSITION)
-#else 
-     stop "Internal error in elpa2_utilities_private_legacy.F90, this should not happen"
-#endif
-     if (trim(ELPA_QR_DECOMPOSITION) .eq. "yes") then
-       useQR = .true.
-       isSet = .true.
-     endif
-     if (trim(ELPA_QR_DECOMPOSITION) .eq. "no") then
-       useQR = .false.
-       isSet = .true.
-     endif
-
-   end function qr_decomposition_via_environment_variable
-
-   function real_kernel_via_environment_variable(elpa) result(kernel)
-     use elpa_constants
-     use precision
-     implicit none
-     type(elpa_t) :: elpa
-     integer(kind=ik)   :: kernel
-     character(len=255) :: REAL_KERNEL_ENVIRONMENT
-     integer(kind=ik)   :: i
-
-#if defined(HAVE_ENVIRONMENT_CHECKING)
-     call get_environment_variable("REAL_ELPA_KERNEL",REAL_KERNEL_ENVIRONMENT)
-#else
-     stop "Internal error in elpa2_utilities_private_legacy.F90, this should not happen"
-#endif
-     do i=1,size(REAL_ELPA_KERNEL_NAMES(:))
-       if (trim(REAL_KERNEL_ENVIRONMENT) .eq. trim(REAL_ELPA_KERNEL_NAMES(i))) then
-         kernel = i
-         exit
-       else
-         kernel = 0
-       endif
-     enddo
-   end function real_kernel_via_environment_variable
-
-   function complex_kernel_via_environment_variable() result(kernel)
-     use elpa_constants
-     use precision