Re: [AMBER] More macOS compilation issues....

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Tue, 23 Apr 2019 05:20:11 +0000

> The configure_mpich or configure_openmpi scripts in
> AMBERHOME/AmberTools/src assist you in the process: you can choose the
> compilers, and the resulting installation stays in AMBERHOME/bin and
> AMBERHOME/lib.

I glanced at these scripts before and simply overlooked them as I had mpi compilers installed globally. However, as the HomeBrew versions of both openMPI and mpich depend on clang, if installation of MPI compilers are kept local then there should be no conflict and this would solve the MPI issue using gnu gcc from HomeBrew on the latest version of macOS and Xcode. It will be a few days though I’ll give it a try as soon as I have enough time.

Best regards
// Gustaf

> On 22 Apr 2019, at 22:07, David A Case <david.case.rutgers.edu> wrote:
>
> On Sun, Apr 21, 2019, Gustaf Olsson wrote:
>
>> So some good new! After updating my installed packages it turns out
>> that version updates of gcc versions 4-8 now allows for the successful
>> compilation of AmberTools (and amber?) using the gnu gcc compilers on
>> macOS 10.14.4 and Xcode 10.2.1
>
> Good to hear! I assume(?) you are using HomeBrew here? I have not been
> able to get the macports compilers to work, even after updating to the
> latest version.
>
>> Possiblest re-compiling openmpi/mpich from source using gnu gcc.
>
> The configure_mpich or configure_openmpi scripts in
> AMBERHOME/AmberTools/src assist you in the process: you can choose the
> compilers, and the resulting installation stays in AMBERHOME/bin and
> AMBERHOME/lib.
>
> ...thanks for the update.....dac
>
>
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Received on Mon Apr 22 2019 - 22:30:01 PDT
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