[gmx-users] libfftw3f.so.3 error known but not able to solve

[gromacs query]

Dear Justin,

Just to add: I can echo all variables (
http://www.gromacs.org/Documentation/Terminology/Environment_Variables)
except GMXLIB so my bashrc is like this: which is still not helping


export GMXLIB=/usr/local/gromacs/share/gromacs/top
export LD_LIBRARY_PATH=/usr/local/bin
#export PATH=$PATH:$LD_LIBRARY_PATH (tried by including and not including
this)
source /usr/local/gromacs/bin/GMXRC

thanks,

On Sun, Nov 4, 2012 at 10:38 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/4/12 12:01 PM, gromacs query wrote:
>
>> Dear All,
>>
>> I have installed gromacs-4.5.5 on CENTOS 64 bit. I have tried following
>> options and I was successful to install by all of following methods but
>> every time I am getting this error when I use any command e.g. mdrun,
>> g_analyze
>> error while loading shared libraries: libfftw3f.so.3: cannot open shared
>> object file: No such file or directory
>>
>> try1:
>> cd fftw-3.3.2
>> ./configure --enable-float --enable-sse, make, make install
>> cd gromacs-4.5.5
>> ./configure --disable-shared, make, make install, make links
>>
>> try2:
>> cd fftw-3.3.2
>> ./configure --enable-float --enable-sse --enable-shared, make, make
>> install
>> cd gromacs-4.5.5
>> ./configure (by default shared), make, make install, make links
>>
>> try3:
>> cd fftw-3.3.2
>> ./configure --enable-float --enable-sse --with-pic, make, make install
>> cd gromacs-4.5.5
>> ./configure (again by default shared), make, make install, make links
>>
>> In all cases I was able to install gromacs and I also: source
>> /usr/local/gromacs/bin/GMXRC in bashrc file. In new terminal I also tried
>> GMXRC.bash. Every time I get above said known error.  As suggested in
>> archive I tried to link the library as: ln -sf /usr/local/lib/libfftw3f.so
>> /usr/local/lib/libfftw3f.so.3 . This is also not helping
>>
>> Please suggest what I am missing.
>>
>>
> You need to tell your LD_LIBRARY_PATH to include /usr/local/lib in the
> same way that you tell PATH where to find executables.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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