Please upgrade to AmberTools16 (free anyway).
Using clang:
./configure -macAccelerate clang
Using GNU
./configure gnu
Hai
On Thu, Jan 5, 2017 at 12:33 PM, erik rp zuiderweg <zuiderwe.umich.edu>
wrote:
> Making progress —
> having my GNU compilers (vs.6.1.0) reinstalled with XCode8.1 on MacOS
> 10.11.6 and running.
>
> Now trying to reinstall AMBER11
>
> Starting in amber11/Ambertools/src
> I changed the configure file to point to the new compilers.
> then successfully issued the commands
> ./configure -macAccelerate gnu —> OK
> make clean —> OK
>
> make
> runs fine, and complies a gazillion things, also fortran codes, but then
> chokes on
>
> gfortran-6.1.0 -c -O0 -ffree-form -o qm2_pm6_hof_module.o
> _qm2_pm6_hof_module.f
> _qm2_pm6_hof_module.f:109:41:
>
> double precision function hofCorrection()
> 1
> Error: In generic interface 'pm6_correction' at (1) procedures must be
> either all SUBROUTINEs or all FUNCTIONs
>
> Seems to be a compiler incompatibility.
>
> Can you help? Or should I just buy Amber16 (OK with me too)
>
>
>
>
>
> Erik Zuiderweg
> University of Michigan
> zuiderwe.umich.edu
> (734) 276 4463
>
> > On Jan 5, 2017, at 4:06 AM, David Case <david.case.rutgers.edu> wrote:
> >
> > On Wed, Jan 04, 2017, Erik Zuiderweg wrote:
> >
> >> Mi Amber recompilation failed with errors.
> >> I now need to reinstall Xcode and the compilers ….
> >
> > No getting around this if you upgrade a MacOS to something like Sierra.
> >
> > But the rest of Amber installation on Macs has been considerably
> simplified,
> > as pointed out at http://ambermd.org/amber_install.html. In particular,
> > there is no need for macports if you don't want it, and don't need it for
> > other uses. And the back-and-forth here about python 2 vs 3 is only for
> those
> > who care...almost all Amber users should just say "yes" when the
> configure
> > script offers to download the correct python.
> >
> > ...dac
> >
> >
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Thu Jan 05 2017 - 10:00:03 PST
