[gmx-users] problem linking fftw2 with gromacs 4.5.3

[Fabio Affinito]

Sorry, Mark,
the problem was in fact in the compilation of fftw.
I solved everything by compiling them in the most simple way:
./configure --prefix=whatelse
and now everything works fine.

Thank you

On 11/16/2010 04:18 PM, Mark Abraham wrote:
> 
> 
> ----- Original Message -----
> From: Fabio Affinito <f.affinito at cineca.it>
> Date: Wednesday, November 17, 2010 1:58
> Subject: [gmx-users] problem linking fftw2 with gromacs 4.5.3
> To: gmx-users at gromacs.org
> 
>> Hi folks,
>> I'm experiencing some problem when I try to compile gromacs 4.5.3
>> linking fftw.
>> This is the configure:
>> > ./configure --prefix=/bgp/userinternal/cin0644a/gromacs.453 \
>> >               --host=ppc --build=ppc64 --enable-ppc-sqrt=1 \
>> >               --disable-ppc-altivec \
>> >               --enable-bluegene --enable-mpi --with-fft=fftw2 \
>> >               --program-suffix=_mpi_bg_dp \
>> >               --without-x \
>> >              CC=mpixlc_r \
>> >              CFLAGS="-O3 -qarch=450d -qtune=450" \
>> >              MPICC=mpixlc_r CXX=mpixlC_r \
>> >              CXXFLAGS="-O3 -qarch=450d -qtune=450" \
>> >              CPPFLAGS="-I/bgp/userinternal/cin0644a/fftw2/include" \
>> >              F77=mpixlf77_r FFLAGS="-O3 -qarch=auto -qtune=auto" \
>> >              LDFLAGS="-L/bgp/userinternal/cin0644a/fftw2/lib"
>>
>> This is the error during the make
>> > mkdir .libs
>> > libtool: link: cannot find the library `../mdlib/libmd_mpi.la'
>> or unhandled argument `../mdlib/libmd_mpi.la'
>> > make[1]: *** [libgmxpreprocess_mpi.la] Error 1
>> > make[1]: Leaving directory `/bgp/userinternal/cin0644a/gromacs-
>> 4.5.3/src/kernel'
>> The directory /lib:
>>
>> > libfftw.a   libfftw_threads.a  
>> librfftw.a   librfftw_threads.a
>> > libfftw.la  libfftw_threads.la  librfftw.la 
>> librfftw_threads.la
>> The directory /include:
>>
>> > fftw.h  fftw_threads.h  rfftw.h  rfftw_threads.h
>>
>> Do you have any hint?
> 
> I'd be looking for errors higher up in the output, where
> mdlib/libmd_mpi.la got (not) made.
> 
> Mark
> 
>>
>> Thanks in advance,
>>
>> Fabio
>>
>>
>>
>> --
>> *********************************************
>> Fabio Affinito, PhD
>> CINECA
>> SuperComputing Applications and Innovation Department - SCAI
>> Via Magnanelli, 6/3
>> 40033 Casalecchio di Reno (Bologna) ITALY
>> +39/051/6171794 (Phone)
>> --
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> 


-- 
*********************************************
Fabio Affinito, PhD
CINECA
SuperComputing Applications and Innovation Department - SCAI
Via Magnanelli, 6/3
40033 Casalecchio di Reno (Bologna) ITALY
+39/051/6171794 (Phone)