Re: [AMBER] Error: FFTW configure returned 77 during AMBER 12 installation

From: <sunita.tifrh.res.in>
Date: Thu, 9 Oct 2014 18:32:20 +0530

> On Thu, 2014-10-09 at 12:41 +0530, sunita.tifrh.res.in wrote:
>> Hi Guys,
>>
>> I having problem when trying to compile Amber12 on POWER7 (architected),
>> altivec. Following error message am getting.
>> ===========================================================================
>> Checking for libbz2: testp.c:2:19: error: bzlib.h: No such file or
>> directory
>> testp.c: In function ¬‘main¬’:
>> testp.c:5: error: ¬‘BZFILE¬’ undeclared (first use in this function)
>> testp.c:5: error: (Each undeclared identifier is reported only once
>> testp.c:5: error: for each function it appears in.)
>> testp.c:5: error: ¬‘infile¬’ undeclared (first use in this function)
>> ./configure2: line 2081: ./testp: No such file or directory
>> Not found.
>>
>> Configuring fftw-3.3 (may be time-consuming)...
>>
>> Error: FFTW configure returned 77
>> FFTW configure failed! Check the fftw3_config.log file
>> in the /users/home/chary/softwares/amber12/AmberTools/src directory.
>> Configure failed due to the errors above!
>>
>> ===========================================================================
>>
>> The content of the file fftw3_config.log is as follow
>>
>> ******************
>> checking for a BSD-compatible install... /usr/bin/install -c
>> checking whether build environment is sane... yes
>> checking for a thread-safe mkdir -p... /bin/mkdir -p
>> checking for gawk... gawk
>> checking whether make sets $(MAKE)... yes
>> checking whether to enable maintainer-specific portions of Makefiles...
>> no
>> checking build system type... powerpc64-unknown-linux-gnu
>> checking host system type... powerpc64-unknown-linux-gnu
>> checking for gcc... gcc
>> checking whether the C compiler works... no
>> configure: error: in
>> `/users/home/chary/softwares/amber12/AmberTools/src/fftw-3.3':
>> configure: error: C compiler cannot create executables
>> See `config.log' for more details
>> ******************
>>
>>
>> fftw-3.3.4 is compiles and installed in the following way:
>>
>> ./configure --prefix=/users/home/chary/software/fftw3 --enable-shared
>> --enable-mpi --enable-float --enable-altivec --enable-threads
>>
>> gmake
>>
>> make install
>>
>> ----------
>>
>> The problem it seems fftw is now taking gnu compiler and it is using the
>> default C compiler.
>
> What compiler did you specify to "configure"? If you look at line 2245
> of $AMBERHOME/AmberTools/src/configure2, you can see how the fftw3
> source code is configured. It clearly passes the C and Fortran
> compilers that you request to the FFTW-3 configure script.
>

I used gnu compiler to configure amber12.

> If you know how to get FFTW-3 to compile on your POWER7 machine, then
> you are welcome to change the configure script so that it configures
> FFTW3 "correctly".

I don't know how to compile FFTW3 on POWER7 machine. Is it not the way we
do in other machine? I am too new for this architecture.

> Alternatively, if you don't need either RISM or mdgx functionality,
> fftw3 is not needed and you can skip its compilation with -nofftw3.

Without FFTW, I could install serial version of amber (sander). Again,I am
getting trouble for parallel installation (sander.MPI).

>
>> Could you please help me to troubleshoot the installation.
>
> I would suggest using AmberTools 14, as well (and see if it still
> doesn't work). It's unlikely we'll bother fixing AmberTools 12 if
> AmberTools 14 works fine (and if it doesn't, we will probably only fix
> AmberTools 14, anyway).

I am not having AmberTools 14. If so I have to get it.

Thank you Jason.

Best regards,
Sunita

>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



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Received on Thu Oct 09 2014 - 06:30:02 PDT
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