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

Neha Gupta nehaphysics17 at gmail.com
Mon Aug 28 07:03:15 CEST 2017


Hi,

I am using  GROMACS:   gmx, VERSION 5.0


Executable:   /usr/local/gromacs/bin/gmx
Library dir:  /usr/local/gromacs/share/gromacs/top


However, when I execute it, I get

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


Should we install libfftw files separately?

How to do it?


Thanks,
Neha


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