Re: [AMBER] Amber 12 Installation errors relevant to fftw3

From: Shulin Zhuang <shulin.zhuang.gmail.com>
Date: Thu, 26 Apr 2012 08:49:21 +0800

Hi Jason,

I did not modify the configure script. During the configure step, no error
occurs. I guess some problems may be related to fftw3.

Thanks for your help.
Shulin

On Thu, Apr 26, 2012 at 8:37 AM, Jason Swails <jason.swails.gmail.com>wrote:

> The configure script should have printed out an error message if you tried
> using these compilers. Did you modify the configure script?
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On Apr 25, 2012, at 8:23 PM, Shulin Zhuang <shulin.zhuang.gmail.com>
> wrote:
>
> > Dear David Case,
> >
> > Following your suggestions ,I got the same information using gcc -v and
> > gfortran --v :
> >
> > Using built-in specs.
> > Target: x86_64-redhat-linux
> > Configured with: ../configure --prefix=/usr --mandir=/usr/share/man
> > --infodir=/usr/share/info --enable-shared --enable-threads=posix
> > --enable-checking=release --with-system-zlib --enable-__cxa_atexit
> > --disable-libunwind-exceptions --enable-libgcj-multifile
> > --enable-languages=c,c++,objc,obj-c++,java,fortran,ada
> > --enable-java-awt=gtk --disable-dssi --enable-plugin
> > --with-java-home=/usr/lib/jvm/java-1.4.2-gcj-1.4.2.0/jre
> --with-cpu=generic
> > --host=x86_64-redhat-linux
> > Thread model: posix
> > gcc version 4.1.2 20080704 (Red Hat 4.1.2-46)
> >
> >
> > I re-configured it using the -nofftw3 and can successfully installed the
> > serial and parallel version of amber 12.
> >
> > Best regards
> > Shulin
> >
> > On Wed, Apr 25, 2012 at 8:12 PM, David A Case <case.biomaps.rutgers.edu
> >wrote:
> >
> >> On Wed, Apr 25, 2012, Shulin Zhuang wrote:
> >>
> >>> I use gfortran.
> >>
> >> It would still be very helpful if you could type "gfortran --v" and
> >> "gcc -v" and report what the result is.
> >>
> >>>
> >>> step 1: ./configure gnu this step is ok
> >>>
> >>> step 2:make install During this step lots of warning and
> >> error.
> >>> I just select several warnings and errors:
> >>
> >> Warnings are not important.
> >>
> >>> gfortran -DFFTW -DBINTRAJ *-c -O3 -ffree-form
> >>> *-I/home/hjkx/program/amber12//include
> >>> -I/home/hjkx/program/amber12//include *-o fftw3.o fftw3.F90*
> >>>
> >>> error: sententce (1) not defined in file fftw3.f03:1732
> >>>
> >>> included in * fftw3.F90*:10
> >>>
> >>> type(C_PTR), value :: output_file
> >>
> >> I suspect that your compiler does not support the ISO_C interface, but
> that
> >> somehow the configuration script thought that it did. This is why we
> >> need version numbers. It is also required that gcc and gfortran use the
> >> same
> >> version of the compilers.
> >>
> >> A workaround (depending on your needs) is to re-configure using the
> >> -nofftw3
> >> flag.
> >>
> >> ...dac
> >>
> >>
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> >>
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Received on Wed Apr 25 2012 - 18:00:06 PDT
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