That did the trick, thanks Joe!
-Dan
On Tue, Feb 18, 2014 at 5:16 PM, Joe Kaus <joekaus.gmail.com> wrote:
> Hi Dan,
>
> I have just updated the code so that it no longer needs function pointers.
> I have tested it with gfortran 4.4.7 and it seems to be working, but please
> let me know if you have issues.
>
> Cheers,
>
> Joe Kaus
>
>
>
> On Tue, Feb 18, 2014 at 2:21 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
>
> > Hi All,
> >
> > Trying to compile PMEMD with git pull from today (commit ca8672c6c89...)
> > using gfortran 4.4.7 I hit the following snag:
> >
> > gfortran -DBINTRAJ -DEMIL -DPUBFFT -O3 -mtune=native -DCUDA -Duse_SPFP
> > -I/uufs/
> > chpc.utah.edu/common/home/u0827715/Amber/GIT/amber-kepler/include-c
> > pme_direct.F90
> > get_nb_energy_ti.i:108.13:
> > Included at pme_direct.F90:357:
> >
> > procedure (func), pointer, nopass :: f
> > 1
> > Error: Fortran 2003: Procedure components at (1) are not yet implemented
> in
> > gfortran
> >
> > Seems this is the result of the recent optimizations to the nonbonded
> code
> > calcs in which function pointers are used. I *think* function pointers
> have
> > been in Gnu since 4.6 maybe? Are we just no longer supporting older
> > compilers that dont have support for function pointers in fortran (at
> least
> > for pmemd)?
> >
> > -Dan
> >
> > --
> > -------------------------
> > Daniel R. Roe, PhD
> > Department of Medicinal Chemistry
> > University of Utah
> > 30 South 2000 East, Room 201
> > Salt Lake City, UT 84112-5820
> > http://home.chpc.utah.edu/~cheatham/
> > (801) 587-9652
> > (801) 585-6208 (Fax)
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
> _______________________________________________
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Feb 18 2014 - 22:00:02 PST
