Re: [AMBER] compatibility issues

From: erik rp zuiderweg <>
Date: Thu, 5 Jan 2017 18:33:53 +0100

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

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

   double precision function hofCorrection()
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
(734) 276 4463

> On Jan 5, 2017, at 4:06 AM, David Case <> 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 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
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