Re: [AMBER] Amber/AmberTools24 installation Apple M2

From: Elvis Martis via AMBER <amber.ambermd.org>
Date: Tue, 6 Aug 2024 18:08:17 +0530

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
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Received on Tue Aug 06 2024 - 06:00:02 PDT
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