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
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Received on Mon May 31 2010 - 07:00:04 PDT
