[gmx-users] gromacs error

[Neha Gupta]

Hi Vytautas,

Thank you for your response..

I did as you told and got this message at the command prompt

libfftw3f: /usr/local/lib/libfftw3f.la /usr/local/lib/libfftw3f.a

But the error tells me :

gmx: error while loading shared libraries: libfftw3f.so.3: cannot open
shared object file: No such file or directory

Even when I go to that location, namely, /usr/local/lib. I do not find "
libfftw3f.so.3."

What is the next step?

Thanks,
Neha

On Mon, Aug 28, 2017 at 12:33 PM, Vytautas Rakeviius <vytautas1987 at yahoo.com
> wrote:

>
> Make sure you have libfftw3f installed properly. In such case
> command:whereis libfftw3fshould give you location of that file which gmx is
> unable to find.
> On Saturday, August 26, 2017, 1:13:38 PM GMT+3, Neha Gupta <
> nehaphysics17 at gmail.com> wrote:
>
> Hi gromacs users,
>
> How to fix this error?
>
> gmx: error while loading shared libraries: libfftw3f.so.3: cannot open
> shared object file: No such file or directory
>
> PATH=$PATH:"/usr/local/gromacs/bin/"
>
> LD_LIBRARY_PATH=$LD_LIBRARY_PATH:"/usr/local/gromacs/share/gromacs/top"
>
>
>
> Thanks,
> Neha
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