Re: [AMBER] Amber/AmberTools24 installation Apple M2

From: Elvis Martis via AMBER <amber.ambermd.org>
Date: Tue, 6 Aug 2024 19:53:31 +0530

Can you confirm your compiler versions ?

On Tuesday 6 August 2024, Vishwaa Kannan <vishwaakannan.icloud.com> wrote:

> Same error
>
> I tried this:
> export LD_LIBRARY_PATH=/opt/homebrew/Cellar/open-mpi/5.0.3_1/lib:$
> LD_LIBRARY_PATH
> Source ~/.zshrc
>
> On Aug 6, 2024, at 08:38, Elvis Martis <elvis.afmartis.gmail.com> wrote:
>
> Could try to explicitly define the paths for all libraries using
> LD_LIBRARY_PATH in your bashrc.
>
> On Tuesday 6 August 2024, Vishwaa Kannan <vishwaakannan.icloud.com> wrote:
>
>> When I disable the two, and have -DMPI = TRUE, I get an error at 34% mark:
>> > [ 34%] Linking CXX shared library libquick_mpi.dylib ld: warning:
>> -undefined error is deprecated ld: warning: -commons use_dylibs is no
>> longer supported, using error treatment instead ld: common symbol
>> '_mpi_fortran_argv_null_' from '/Users/vishwaa/amber/amber24_
>> src/build/AmberTools/src/quick/src/CMakeFiles/libquick_mpi.
>> dir/modules/quick_mpi_module.f90.o' conflicts with definition from dylib
>> '_mpi_fortran_argv_null_' from '/opt/homebrew/Cellar/open-mpi
>> /5.0.3_1/lib/libmpi_usempi_ignore_tkr.40.dylib' clang: error: linker
>> command failed with exit code 1 (use -v to see invocation) make[2]: ***
>> [AmberTools/src/quick/src/libquick_mpi.dylib] Error 1 make[1]: ***
>> [AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/all] Error 2 make:
>> *** [all] Error 2 vishwaa.vishwaa build %
>>
>> If I don’t install open-mpi via home-brew, then I get an error in the
>> build portion. Please help.
>>
>> > On Aug 6, 2024, at 05:49, Elvis Martis via AMBER <amber.ambermd.org>
>> wrote:
>> >
>> > Hi Xavier
>> >
>> > For some reason it is known problem with M2.
>> > You need to disable moft also.
>> >
>> > To disable both
>> > -DDISABLE_TOOLS=“packmol_memgen;moft”
>> >
>> > I hope this helps
>> >
>> >
>> > On Tuesday 6 August 2024, Xavier Brazzolotto via AMBER <
>> amber.ambermd.org>
>> > wrote:
>> >
>> >> I have issues installing Amber/AmberTools24 on my MacBookPro M2
>> >>
>> >> Make install ends with an error with packmol_memgen.
>> >>
>> >> If I remove this tool using -DDISABLE_TOOLS=« packmol_memgen » the
>> >> compilation stops then at the « moft » tool
>> >>
>> >> I didn’t find a way to remove both tools together. Any idea of the
>> right
>> >> synthax to use ?
>> >>
>> >> Xavier
>> >>
>> >> _______________________________________________
>> >> AMBER mailing list
>> >> AMBER.ambermd.org
>> >> http://lists.ambermd.org/mailman/listinfo/amber
>> >>
>> >
>> >
>> > --
>> > Best Regards
>> > Elvis
>> > _______________________________________________
>> > AMBER mailing list
>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>
> --
> Best Regards
> Elvis
>
>
>

-- 
Best Regards
Elvis
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Received on Tue Aug 06 2024 - 07:30:02 PDT
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