Have you installed gfortran?
What is the output for
gfortran -v
??
On Tuesday 6 August 2024, Vishwaa Kannan <vishwaakannan.icloud.com> wrote:
> vishwaa.vishwaa build % mpirun --version
>
>
> mpirun (Open MPI) 5.0.3
>
>
> Report bugs to https://www.open-mpi.org/community/help/
>
> vishwaa.vishwaa build % clang --version
>
> Apple clang version 15.0.0 (clang-1500.3.9.4)
>
> Target: arm64-apple-darwin23.6.0
>
> Thread model: posix
>
> InstalledDir: /Applications/Xcode.app/Contents/Developer/Toolchains/
> XcodeDefault.xctoolchain/usr/bin
>
> vishwaa.vishwaa build % xcode-select --version
>
> xcode-select version 2408.
>
> vishwaa.vishwaa build % cmake --version
>
> cmake version 3.30.1
>
>
> CMake suite maintained and supported by Kitware (kitware.com/cmake).
>
> vishwaa.vishwaa build % gcc --version
>
> Apple clang version 15.0.0 (clang-1500.3.9.4)
>
> Target: arm64-apple-darwin23.6.0
>
> Thread model: posix
>
> InstalledDir: /Applications/Xcode.app/Contents/Developer/Toolchains/
> XcodeDefault.xctoolchain/usr/bin
>
> vishwaa.vishwaa build %
>
>
> Any other ones needed?
>
> On Aug 6, 2024, at 10:23, Elvis Martis via AMBER <amber.ambermd.org>
> wrote:
>
> 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
>
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>
>
>
> --
> Best Regards
> Elvis
> _______________________________________________
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>
>
>
>
> --
> Best Regards
> Elvis
>
>
>
>
> --
> Best Regards
> Elvis
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>
>
>
--
Best Regards
Elvis
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Received on Tue Aug 06 2024 - 08:00:02 PDT
