Re: [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-79
India.



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Re: [gmx-users] Installtion of gromacs-4.5.3

[Roland Schulz]

Hi,

this question has been answered often. Please check the archive before
posting.

Roland

On Thu, Mar 31, 2011 at 8:01 PM, parichita parichita <
parichitamajum...@yahoo.co.in> 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
> 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
> /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-79
> India.
>
> --
> gmx-users mailing listgmx-users@gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-requ...@gromacs.org.
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>



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