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

From: Jason Swails <>
Date: Thu, 09 Oct 2014 08:30:53 -0400

On Thu, 2014-10-09 at 12:41 +0530, 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.

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".

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

> 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).


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Thu Oct 09 2014 - 06:00:02 PDT
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