[gmx-users] [Install error] What can I do this situation?

[Szilárd Páll]

On Mon, Aug 20, 2018 at 2:54 PM 김나연 <skdsu1 at gmail.com> wrote:

> There is error messages. TT
> 1) What can I do??
>

Install manually. The installation warnings suggest that you are risking
strange failures (due to mixing C++ libraries).


> 2) If this process succeeds, can I do GPU calculations in mdrun?
>

Yes, if the homebrew package was built with GPU support.


> 3) I think gromacs only supports gcc.


That's not correct.


> But I heard that installing gcc and home-brew at the same time will result
> in an unknown error. Is that right?
>

No idea. Have you tried?

Error Messages (In fact, installation messages)
>
> iMac-pro:Desktop$ brew install gromacs
> Updating Homebrew...
> ==> Auto-updated Homebrew!
> Updated 1 tap (homebrew/core).
> No changes to formulae.
>
> ==> Installing dependencies for gromacs: fftw, gsl
> ==> Installing gromacs dependency: fftw
> ==> Downloading
> https://homebrew.bintray.com/bottles/fftw-3.3.8.high_sierra.bottle.tar.gz
> ########################################################################
> 100.0%
> ==> Pouring fftw-3.3.8.high_sierra.bottle.tar.gz
> 🍺  /usr/local/Cellar/fftw/3.3.8: 52 files, 10.8MB
> ==> Installing gromacs dependency: gsl
> ==> Downloading
> https://homebrew.bintray.com/bottles/gsl-2.5.high_sierra.bottle.tar.gz
> ########################################################################
> 100.0%
> ==> Pouring gsl-2.5.high_sierra.bottle.tar.gz
> 🍺  /usr/local/Cellar/gsl/2.5: 271 files, 9.2MB
> ==> Installing gromacs
> ==> Downloading
> https://homebrew.bintray.com/bottles/gromacs-2018.2.high_sierra.bottle.tar.gz
> ########################################################################
> 100.0%
> ==> Pouring gromacs-2018.2.high_sierra.bottle.tar.gz
> Warning: gromacs dependency gcc was built with a different C++ standard
> library (libstdc++ from clang). This may cause problems at runtime.
> ==> Caveats
> GMXRC and other scripts installed to:
>   /usr/local/share/gromacs
>
> Bash completion has been installed to:
>   /usr/local/etc/bash_completion.d
>
> zsh completions have been installed to:
>   /usr/local/share/zsh/site-functions
> ==> Summary
> 🍺  /usr/local/Cellar/gromacs/2018.2: 705 files, 20.4MB
> ==> Caveats
> ==> gromacs
> GMXRC and other scripts installed to:
>   /usr/local/share/gromacs
>
> Bash completion has been installed to:
>   /usr/local/etc/bash_completion.d
>
> zsh completions have been installed to:
>   /usr/local/share/zsh/site-functions
>
>
>
> --
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