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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Received on Thu Jan 05 2017 - 10:00:02 PST
