[gmx-users] Facing problem in gromacs installation

[Mark Abraham]

Hi,

On Mon, Jun 29, 2015 at 8:21 AM Akshay Bhatnagar <
akshaybhatnagar2790 at gmail.com> wrote:

> I am trying to install gromacs-5.0.5 on my ubuntu based system. But wheni
> try the quick installation , it is not able to find the required FFTW files
> and gives a message that url is not found.
>

That's probably an issue with the Ubuntu CMake using a version of another
library that lacks SSL support. You can fix that by getting a cmake binary
from Kitware's webpage.

Or make sure you have an internet connection before trying the download ;-)

Alternatively, you can just use the Ubuntu fftw3 package.

When i try the long installtion procedure, i have installed FFTW manually
> from its website. Now when try to install gromacs using cmake it gives an
> error :
>
>  "CMake Error at cmake/FindFFTW.cmake:167 (message):
>   The FFTW library /usr/local/lib/libfftw3f.a cannot be used with shared
>   libraries.  Provide a different FFTW library by setting FFTWF_LIBRARY.
> If
>   you don't have a different one, recompile FFTW with "--enable-shared" or
>   "--with-pic".  Or disable shared libraries for Gromacs by setting
>   BUILD_SHARED_LIBS to "no". "
>
> I am not able to understand how to proceed now? Please can someone guide me
> hoe to install gromacs.
>

Probably however you installed FFTW needs modifications like suggested
above, because the first one you did didn't install shared libraries that
GROMACS could find. But we can't help unless you tell us how you installed
FFTW.

Mark


>
> With Regards
> Akshay Bhatnagar
> PhD Student
> BITS Pilani Hyderabad Campus
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