The NAG Fortran Compiler, Fortran Builder and a Fortran quiz

January 7th, 2013 | Categories: Fortran, Guest posts, NAG Library, programming | Tags:

The Numerical Algorithms Group (NAG) are principally known for their numerical library but they also offer products such as a MATLAB toolbox and a Fortran compiler.  My employer, The University of Manchester, has  a full site license for most of NAG’s stuff where it is heavily used by both our students and researchers.

While at a recent software conference, I saw a talk by NAG’s David Sayers where he demonstrated some of the features of the NAG Fortran Compiler.  During this talk he showed some examples of broken Fortran and asked us if we could spot how they were broken without compiler assistance.  I enjoyed the talk and so asked David if he would mind writing a guest blog post on the subject for WalkingRandomly.  He duly obliged.

 This is a guest blog post by David Sayers of NAG.

What do you want from your Fortran compiler? Some people ask for extra (non-standard) features, others require very fast execution speed. The very latest extensions to the Fortran language appeal to those who like to be up to date with their code.

I suspect that very few would put enforcement of the Fortran standard at the top of their list, yet this essential if problems are to be avoided in the future. Code written specifically for one compiler is unlikely to work when computers change, or may contain errors that appear only intermittently. Without access to at least one good checking compiler, the developer or support desk will be lacking a valuable tool in the fight against faulty code.

The NAG Fortran compiler is such a tool. It is used extensively by NAG’s own staff to validate their library code and to answer user-support queries involving user’s Fortran programs. It is available on Windows, where it has its own IDE called Fortran Builder, and on Unix platforms and Mac OS X.

Windows users also have the benefit of some Fortran Tools bundled in to the IDE. Particularly nice is the Fortran polisher which tidies up the presentation of your source files according to user-specified preferences.

The compiler includes most Fortran 2003 features, very many Fortran 2008 features and the most commonly used features of OpenMP 3.0 are supported.

The principal developer of the compiler is Malcolm Cohen, co-author of the book, Modern Fortran Explained along with Michael Metcalf and John Reid. Malcolm has been a member of the international working group on Fortran, ISO/IEC JTC1/SC22/WG5, since 1988, and the USA technical subcommittee on Fortran, J3, since 1994. He has been head of the J3 /DATA subgroup since 1998 and was responsible for the design and development of the object-oriented features in Fortran 2003. Since 2005 he has been Project Editor for the ISO/IEC Fortran standard, which has continued its evolution with the publication of the Fortran 2008 standard in 2010.

Of all people Malcolm Cohen should know Fortran and the way the standard should be enforced!

His compiler reflects that knowledge and is designed to assist the programmer to detect how programs might be faulty due to a departure from the Fortran standard or prone to trigger a run time error. In either case the diagnostics of produced by the compiler are clear and helpful and can save the developer many hours of laborious bug-tracing. Here are some particularly simple examples of faulty programs. See if you can spot the mistakes, and think how difficult these might be to detect in programs that may be thousands of times longer:

Example 1

    Program test
      Real, Pointer :: x(:, :)

      Call make_dangle
      x(10, 10) = 0
    Contains
      Subroutine make_dangle
        Real, Target :: y(100, 200)

        x => y
      End Subroutine make_dangle
    End Program test

Example 2

Program dangle2
Real,Pointer :: x(:),y(:)
Allocate(x(100))
y => x
Deallocate(x)
y = 3
End

Example 3

      program more
      integer n, i
      real r, s
      equivalence (n,r)
      i=3
      r=2.5
      i=n*n
      write(6,900) i, r
900  format(' i = ', i5, '   r = ', f10.4)
      stop 'ok'
      end

Example 4

      program trouble1
      integer n
      parameter (n=11)
      integer iarray(n) 
      integer i
      do 10 i=1,10
        iarray(i) = i
10   continue
      write(6,900) iarray
900  format(' iarray = ',11i5)
      stop 'ok'
      end

And finally if this is all too easy …

Example 5

!   E04UCA Example Program Text
!   Mark 23 Release. NAG Copyright 2011.

    MODULE e04ucae_mod

!      E04UCA Example Program Module:
!             Parameters and User-defined Routines

!      .. Use Statements ..
       USE nag_library, ONLY : nag_wp
!      .. Implicit None Statement ..
       IMPLICIT NONE
!      .. Parameters ..
       REAL (KIND=nag_wp), PARAMETER       :: one = 1.0_nag_wp
       REAL (KIND=nag_wp), PARAMETER       :: zero = 0.0_nag_wp
       INTEGER, PARAMETER                  :: inc1 = 1, lcwsav = 1,            &
                                              liwsav = 610, llwsav = 120,      &
                                              lrwsav = 475, nin = 5, nout = 6
    CONTAINS
       SUBROUTINE objfun(mode,n,x,objf,objgrd,nstate,iuser,ruser)
!         Routine to evaluate objective function and its 1st derivatives.

!         .. Implicit None Statement ..
          IMPLICIT NONE
!         .. Scalar Arguments ..
          REAL (KIND=nag_wp), INTENT (OUT)    :: objf
          INTEGER, INTENT (INOUT)             :: mode
          INTEGER, INTENT (IN)                :: n, nstate
!         .. Array Arguments ..
          REAL (KIND=nag_wp), INTENT (INOUT)  :: objgrd(n), ruser(*)
          REAL (KIND=nag_wp), INTENT (IN)     :: x(n)
          INTEGER, INTENT (INOUT)             :: iuser(*)
!         .. Executable Statements ..
          IF (mode==0 .OR. mode==2) THEN
             objf = x(1)*x(4)*(x(1)+x(2)+x(3)) + x(3)
          END IF

          IF (mode==1 .OR. mode==2) THEN
             objgrd(1) = x(4)*(x(1)+x(1)+x(2)+x(3))
             objgrd(2) = x(1)*x(4)
             objgrd(3) = x(1)*x(4) + one
             objgrd(4) = x(1)*(x(1)+x(2)+x(3))
          END IF

          RETURN

       END SUBROUTINE objfun
       SUBROUTINE confun(mode,ncnln,n,ldcj,needc,x,c,cjac,nstate,iuser,ruser)
!         Routine to evaluate the nonlinear constraints and their 1st
!         derivatives.

!         .. Implicit None Statement ..
          IMPLICIT NONE
!         .. Scalar Arguments ..
          INTEGER, INTENT (IN)                :: ldcj, n, ncnln, nstate
          INTEGER, INTENT (INOUT)             :: mode
!         .. Array Arguments ..
          REAL (KIND=nag_wp), INTENT (OUT)    :: c(ncnln)
          REAL (KIND=nag_wp), INTENT (INOUT)  :: cjac(ldcj,n), ruser(*)
          REAL (KIND=nag_wp), INTENT (IN)     :: x(n)
          INTEGER, INTENT (INOUT)             :: iuser(*)
          INTEGER, INTENT (IN)                :: needc(ncnln)
!         .. Executable Statements ..
          IF (nstate==1) THEN

!            First call to CONFUN.  Set all Jacobian elements to zero.
!            Note that this will only work when 'Derivative Level = 3'
!            (the default; see Section 11.2).

             cjac(1:ncnln,1:n) = zero
          END IF

          IF (needc(1)>0) THEN

             IF (mode==0 .OR. mode==2) THEN
                c(1) = x(1)**2 + x(2)**2 + x(3)**2 + x(4)**2
             END IF

             IF (mode==1 .OR. mode==2) THEN
                cjac(1,1) = x(1) + x(1)
                cjac(1,2) = x(2) + x(2)
                cjac(1,3) = x(3) + x(3)
                cjac(1,4) = x(4) + x(4)
             END IF

          END IF

          IF (needc(2)>0) THEN

             IF (mode==0 .OR. mode==2) THEN
                c(2) = x(1)*x(2)*x(3)*x(4)
             END IF

             IF (mode==1 .OR. mode==2) THEN
                cjac(2,1) = x(2)*x(3)*x(4)
                cjac(2,2) = x(1)*x(3)*x(4)
                cjac(2,3) = x(1)*x(2)*x(4)
                cjac(2,4) = x(1)*x(2)*x(3)
             END IF

          END IF

          RETURN

       END SUBROUTINE confun
    END MODULE e04ucae_mod
    PROGRAM e04ucae

!      E04UCA Example Main Program

!      .. Use Statements ..
       USE nag_library, ONLY : dgemv, e04uca, e04wbf, nag_wp
       USE e04ucae_mod, ONLY : confun, inc1, lcwsav, liwsav, llwsav, lrwsav,   &
                               nin, nout, objfun, one, zero
!      .. Implicit None Statement ..
!       IMPLICIT NONE
!      .. Local Scalars ..
      ! REAL (KIND=nag_wp)                  :: objf
       INTEGER                             :: i, ifail, iter, j, lda, ldcj,    &
                                              ldr, liwork, lwork, n, nclin,    &
                                              ncnln, sda, sdcjac
!      .. Local Arrays ..
       REAL (KIND=nag_wp), ALLOCATABLE     :: a(:,:), bl(:), bu(:), c(:),      &
                                              cjac(:,:), clamda(:), objgrd(:), &
                                              r(:,:), work(:), x(:)
       REAL (KIND=nag_wp)                  :: ruser(1), rwsav(lrwsav)
       INTEGER, ALLOCATABLE                :: istate(:), iwork(:)
       INTEGER                             :: iuser(1), iwsav(liwsav)
       LOGICAL                             :: lwsav(llwsav)
       CHARACTER (80)                      :: cwsav(lcwsav)
!      .. Intrinsic Functions ..
       INTRINSIC                              max
!      .. Executable Statements ..
       WRITE (nout,*) 'E04UCA Example Program Results'

!      Skip heading in data file
       READ (nin,*)

       READ (nin,*) n, nclin, ncnln
       liwork = 3*n + nclin + 2*ncnln
       lda = max(1,nclin)

       IF (nclin>0) THEN
          sda = n
       ELSE
          sda = 1
       END IF

       ldcj = max(1,ncnln)

       IF (ncnln>0) THEN
          sdcjac = n
       ELSE
          sdcjac = 1
       END IF

       ldr = n

       IF (ncnln==0 .AND. nclin>0) THEN
          lwork = 2*n**2 + 20*n + 11*nclin
       ELSE IF (ncnln>0 .AND. nclin>=0) THEN
          lwork = 2*n**2 + n*nclin + 2*n*ncnln + 20*n + 11*nclin + 21*ncnln
       ELSE
          lwork = 20*n
       END IF

       ALLOCATE (istate(n+nclin+ncnln),iwork(liwork),a(lda,sda), &
          bl(n+nclin+ncnln),bu(n+nclin+ncnln),c(max(1, &
          ncnln)),cjac(ldcj,sdcjac),clamda(n+nclin+ncnln),objgrd(n),r(ldr,n), &
          x(n),work(lwork))

       IF (nclin>0) THEN
          READ (nin,*) (a(i,1:sda),i=1,nclin)
       END IF

       READ (nin,*) bl(1:(n+nclin+ncnln))
       READ (nin,*) bu(1:(n+nclin+ncnln))
       READ (nin,*) x(1:n)

!      Initialise E04UCA

       ifail = 0
       CALL e04wbf('E04UCA',cwsav,lcwsav,lwsav,llwsav,iwsav,liwsav,rwsav, &
          lrwsav,ifail)

!      Solve the problem

       ifail = -1
       CALL e04uca(n,nclin,ncnln,lda,ldcj,ldr,a,bl,bu,confun,objfun,iter, &
          istate,c,cjac,clamda,objf,objgrd,r,x,iwork,liwork,work,lwork,iuser, &
          ruser,lwsav,iwsav,rwsav,ifail)

       SELECT CASE (ifail)
       CASE (0:6,8)
          WRITE (nout,*)
          WRITE (nout,99999)
          WRITE (nout,*)

          DO i = 1, n
             WRITE (nout,99998) i, istate(i), x(i), clamda(i)
          END DO

          IF (nclin>0) THEN

!            A*x --> work.
!            The NAG name equivalent of dgemv is f06paf
             CALL dgemv('N',nclin,n,one,a,lda,x,inc1,zero,work,inc1)

             WRITE (nout,*)
             WRITE (nout,*)
             WRITE (nout,99997)
             WRITE (nout,*)

             DO i = n + 1, n + nclin
                j = i - n
                WRITE (nout,99996) j, istate(i), work(j), clamda(i)
             END DO

          END IF

          IF (ncnln>0) THEN
             WRITE (nout,*)
             WRITE (nout,*)
             WRITE (nout,99995)
             WRITE (nout,*)

             DO i = n + nclin + 1, n + nclin + ncnln
                j = i - n - nclin
                WRITE (nout,99994) j, istate(i), c(j), clamda(i)
             END DO

          END IF

          WRITE (nout,*)
          WRITE (nout,*)
          WRITE (nout,99993) objf
       END SELECT

99999  FORMAT (1X,'Varbl',2X,'Istate',3X,'Value',9X,'Lagr Mult')
99998  FORMAT (1X,'V',2(1X,I3),4X,1P,G14.6,2X,1P,G12.4)
99997  FORMAT (1X,'L Con',2X,'Istate',3X,'Value',9X,'Lagr Mult')
99996  FORMAT (1X,'L',2(1X,I3),4X,1P,G14.6,2X,1P,G12.4)
99995  FORMAT (1X,'N Con',2X,'Istate',3X,'Value',9X,'Lagr Mult')
99994  FORMAT (1X,'N',2(1X,I3),4X,1P,G14.6,2X,1P,G12.4)
99993  FORMAT (1X,'Final objective value = ',1P,G15.7)
    END PROGRAM e04ucae

Answers to this particular New Year quiz will be posted in a future blog post.

  1. ludolph
    January 9th, 2013 at 11:19
    Reply | Quote | #1

    First of all, NAG compilers produce very slow execution speed in general. And, frankly speaking, what else you really need from good compiler for HPC?

  2. January 9th, 2013 at 17:28
    Reply | Quote | #2

    Speed of execution is not the only criteria. The Polyhedron site has a compiler comparison table that you might like to look at.
    http://www.polyhedron.com/compare0html
    When teaching and developing code you want good diagnostics. Nag is one of the best in this category. I’ve been involved in debugging other peoples Fortran code for over 35 years :-( You need all the help you can get. I normally use at least 3 compilers to develop code. The cost of annual licences for the Nag and Intel compilers is soon repaid when developing software. Your mileage may vary.

  3. J.F. Sebastian
    January 9th, 2013 at 21:25
    Reply | Quote | #3

    How do you benefit from speed if you get wrong numbers because of bugs in your code? NAG compiler is really good in error checking.

  4. Neil Carlson
    January 11th, 2013 at 00:43
    Reply | Quote | #4

    I have *never* found the NAG compiler to produce executables that were excessively slower than other compilers. Can you be more specific and concrete? Here’s what else I require from a good HPC compiler: that it correctly compile standard-conforming code. Sounds silly perhaps, but in my experience a great many of the big name compilers have way too many bugs that result in them rejecting valid code, or worse, ICE’s.

  5. ludolph
    January 13th, 2013 at 22:21
    Reply | Quote | #5

    Yes, the diagnostics is the only one advantage of NAG compiler. On the other hand when you need fast execution the INTEL is only way.

    Just try to run polyhedron benchmarks: http://www.polyhedron.com/polyhedron_benchmark_suite0html
    and you will see terrible execution speed of NAG vs INTEL

  6. ludolph
    January 13th, 2013 at 22:28
    Reply | Quote | #6

    Terrible execution speed of NAG is probably the main reason why Polyhedron excluded the NAG from benchmark results. But good idea is to use NAG as code checker.

  7. ludolph
    January 13th, 2013 at 22:33
    Reply | Quote | #7
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