[gmx-users] gromacs error

[Vytautas Rakeviius]

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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