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

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Thu, 25 Apr 2019 20:08:51 +0000

So the current version of openmpi is 4.0.1, the example suggests 1.8.8 which is no longer supported.


The 1.8.8 version is recognised by the ./configure_opempi script, however the 4.0.1 version is not registered and the script tells me I need to download and extract even though this has already been done.


Has anyone tested which versions are supported together with the script?


Best regards

// Gustaf

________________________________
Från: Gustaf Olsson <gustaf.olsson.lnu.se>
Skickat: den 23 april 2019 07:20:11
Till: david.case.rutgers.edu; AMBER Mailing List
Ämne: Re: [AMBER] More macOS compilation issues....

> 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 Thu Apr 25 2019 - 13:30:03 PDT
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