[gmx-users] Errors in compiling gromacs 4.5.6

Mark Abraham mark.j.abraham at gmail.com
Tue Mar 5 13:17:16 CET 2013


See
http://www.gromacs.org/Documentation/Installation_Instructions_4.5#Details_for_building_the_FFTW_prerequisite

Mark

On Tue, Mar 5, 2013 at 9:44 AM, Ekta Jain <ekta.jain at teri.res.in> wrote:

> Dear gmx Users,
> I am very new to Linux and probably this is a very general thing i may be
> seeking help for.
>
> I am facing problems in compiling GROMACS after installing the
> prerequisites (fftw-3.3.3)
>
> I get the following error towards the end of "make"
>
> # make
>
> recompile with -fPIC
> /usr/local/lib/libfftw3f.a: could not read symbols: Bad value
> collect2: ld returned 1 exit status
> make[3]: *** [libmd.la] Error 1
> make[3]: Leaving directory `/root/Desktop/gromacs-4.5.6/src/mdlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/root/Desktop/gromacs-4.5.6/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/root/Desktop/gromacs-4.5.6/src'
> make: *** [all-recursive] Error 1
>
> I have gone through all instructions given on the the GROMACS installation
> page (
> http://www.gromacs.org/Documentation/Installation_Instructions_4.5#Compilation
> )
> incase this was to happen but nothing given there fixes it.
>
> There was no problem in FFTW-3.3.3 compiling and installation.
>
> Appreciate any help.
>
> Best Regards,
>
> Ekta Jain
> Research Analyst
> Biotechnology and Bio-resources Division
> The Energy and Resources Institute, India Habitat Centre
> Lodhi Road, New Delhi - 110033
> #09958818853
> ekta.jain at teri.res.in
>
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