[gmx-users] Installtion of gromacs-4.5.3

[Mark Abraham]

On 1/04/2011 11:01 AM, parichita parichita wrote:
> Hi...
> I am try to istalling gromacs -4.5.3 on AMD phenom II.
> I am following the installtions protocols, 1 St i have installed the 
> fftw3.2.2,
> ./configure --enable-threads --enables-floats --enables-sse
>

That's not how you successfully configured FFTW. Two of your flags do 
not work, for three separate uses of wrong words.

> make
> make install
>
> then I am doing the "cmake".
> cd gromacs-4.5.3
> mkdir exec
> cd exec
> cmake ../
>
> After cmake the make -j 6 gives me an error
>
> "Linking C shared library libmd.so
> /usr/bin/ld: /usr/local/lib/libfftw3f.a(tensor.o): relocation 
> R_X86_64_32 against `.rodata.str1.1' can not be used when making a 
> shared object; recompile with -fPIC
>

I have updated the 
http://www.gromacs.org/Downloads/Installation_Instructions to cover this 
issue.

Mark

> /usr/local/lib/libfftw3f.a: could not read symbols: Bad value
> collect2: ld returned 1 exit status
> make[2]: *** [src/mdlib/libmd.so.6] Error 1
> make[1]: *** [src/mdlib/CMakeFiles/md.dir/all] Error 2
> make: *** [all] Error 2"
>
> please suggest me what I should do next...
>
> with regards
>
>
> Parichita Mazumder
> Research Fellow
> C/O Dr. Chaitali Mukhopadhayay
> Department of Chemistry
> University of Calcutta
> 92,A P C Road
> Kolkata-700009
> India.
>

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