[gmx-users] Facing problem in gromacs installation

Akshay Bhatnagar akshaybhatnagar2790 at gmail.com
Mon Jun 29 08:21:12 CEST 2015


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.

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.



With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus


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