[gmx-users] ERROR IN EXECUTION ---GMX

[Neha Gupta]

Hi,

I gave these commands initially

PATH=$PATH:"/usr/local/gromacs/bin/"  (this mentions path to gmx)

LD_LIBRARY_PATH=$LD_LIBRARY_PATH:"/usr/local/gromacs/share/gromacs/top"

For that, I got the response,

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

I went through "lib" folder (had mentioned its contents above)  and lib64
which contains libgromacs.so.0.0.0


Thanks,
Neha