Re: [AMBER] Parallel installation of AMBER 11 on MacOSX

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 31 May 2010 10:01:03 -0400

Ah, it appears as though you have g77 installed on your machine? I think
that the configure script is trying to use g77 as the Fortran 77 compiler,
when it should be using gfortran. Change the configure line to this:

./configure FC=gfortran F77=gfortran F90=gfortran CC=gcc CXX=g++
--prefix=/usr
make
sudo make install

This should make sure that gfortran and gcc are used as the compilers for
all fortran and c code (and g++ for c++ code).

Good luck!
Jason

On Mon, May 31, 2010 at 9:47 AM, George Tzotzos <gtzotzos.me.com> wrote:

> Hi Jason,
>
> Many thanks for the prompt reply.
>
> I downloaded MPICH2 as you suggested and tried to install. However, I'm
> unable to proceed with the installation.
>
> See the error message below
>
> Any suggestions?
>
> Many thanks in advance
>
> George
>
> checking whether g77 accepts the FLIBS found by autoconf... yes
> checking whether C can link with
> -L/usr/local/lib/gcc/i686-apple-darwin8.8.1/3.4.0
> -L/usr/local/lib/gcc/i686-apple-darwin8.8.1/3.4.0/../../.. -lfrtbegin
> -lg2c... yes
> checking for linker for Fortran main programs... Use Fortran to link
> programs
> checking whether Fortran 77 and C objects are compatible... no
> checking for file... file
> configure: error: **** Incompatible Fortran and C Object File Types! ****
> F77 Object File Type produced by "g77 -O2" is : : Mach-O object i386.
> C Object File Type produced by "gcc -O2" is : : Mach-O 64-bit object
> x86_64.
> make: *** No targets specified and no makefile found. Stop.
> make: *** No rule to make target `install'. Stop.
>
> On May 31, 2010, at 3:18 PM, Jason Swails wrote:
>
> > Hi George,
> >
> > Once you have the compilers built for Mac OS X 10.6, installing Amber
> itself
> > is quite simple (all you need is a simple ./configure gnu, make serial,
> and
> > make serial in the amber11/AmberTools/src and amber11/src directories).
> > Luckily, building the compilers from macports or fink is a one-time
> > necessity, so from now on Amber11 should be quite easy to build.
> >
> > Amber11 in parallel requires, once your system is properly set up, only
> for
> > you to type "./configure -mpi gnu" in the amber11/AmberTools/src
> directory
> > and then make parallel instead of make serial as described above. The
> only
> > additional thing you need is an MPI installation. You can either use
> > macports or fink to build the MPI, or you can build your own from source.
> I
> > would suggest building your own, since it's quite easy.
> >
> > First thing to do is pick an MPI and download the source code. As has
> been
> > suggested many times before, I would suggest MPICH2 (you can download the
> > source code from
> >
> http://www.mcs.anl.gov/research/projects/mpich2/downloads/tarballs/1.2.1p1/mpich2-1.2.1p1.tar.gz
> > Untar the archive in a directory, then cd into that directory and type
> > "./configure --prefix=/usr; make; make install".
> >
> > This will configure it to be put in /usr/bin and /usr/lib and
> /usr/include
> > for the binaries, libraries, and include files, respectively. This
> should
> > successfully overwrite the fortran-deficient MPI installation that comes
> > with xcode tools.
> >
> > After you've done this, the 3 simple commands described above (and in the
> > Amber11 manual) should be sufficient to build a parallel version.
> However,
> > you have to make clean before you do this, since you don't want to use
> the
> > serial installation as a starting point.
> >
> > Mengjuei has also set up a very helpful "amber on mac" weblog that you
> can
> > find here http://amberonmac.blogspot.com/.
> >
> > Good luck!
> > Jason
> >
> > On Mon, May 31, 2010 at 5:09 AM, George Tzotzos <gtzotzos.me.com> wrote:
> >
> >> Hi folks,
> >>
> >> I've made a successful serial installation of AMBER11 on a quad core MAC
> >> (Intel Core i7). My installation was done pretty much on the lines
> suggested
> >> in the message of Erik Zuiderweg dated May 24.
> >>
> >> My question is whether there's a way to take this as a starting point
> for a
> >> parallel installation or does one need to recompile the program from
> >> scratch? If the former option is possible any suggestions on how to
> proceed
> >> from there would be most useful. I went through the mail archive but
> somehow
> >> I'm getting lost in the detail.
> >>
> >> Your help would be greatly appreciated
> >>
> >> George
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon May 31 2010 - 07:30:03 PDT
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