Did you source the environment variable scripts included with the intel
compilers prior to compiling? There are two scripts, ifortvars.sh and
iccvars.sh, that will set up the appropriate library variables for your
compiler. They are located in the same directory as ifort. You can do this
by adding the following to your .bashrc:
ifort_location=`which ifort`
source `dirname $ifort_location`/ifortvars.sh intel64
You may have to adjust the intel64 if you have a 32-bit system or
something. Did you build your version of MPI from source code with the
intel compilers? You can check this via the command
mpif90 -show
This will tell you what mpif90 is actually calling. If it is calling
gfortran or something else, I would suggest recompiling it specifying
F90=ifort F77=ifort CC=icc CXX=icpc on the command-line when you run the
configure script (for openMPI, mpich2, etc.).
e.g.
./configure --prefix=/mpi/openmpi-1.4.1_intel11/ F90=ifort F77=ifort CC=icc
CXX=icpc
(assuming you created a directory /mpi/openmpi-1.4.1_intel11. I do not like
the instructions to set the prefix to / at all, since /lib, /bin, /include,
etc. should not be touched IMO).
If it is set up to use ifort, edit your config.h file and replace all
instances of "ifort" with "mpif90" and get rid of all the MPI library
references in the various FLAGS in the config.h file (since mpif90 takes
care of that for you).
Hope this helps,
Jason
On Fri, Jul 9, 2010 at 3:53 PM, Jorgen Simonsen <jorgen589.gmail.com> wrote:
> I looked through the link you sent but I don't see how it deal with the
> intel compiler - I think the issue is missing math library but I am not
> sure?
>
> Did you have to include extra libraries for the compilation with intel
> compiler and libraries?
>
> On Fri, Jul 9, 2010 at 8:54 PM, ros <ros.servidor.unam.mx> wrote:
>
> > I always follow this tutorial for compiling parallel and works all the
> > time.
> >
> > http://www.somewhereville.com/?p=437*
> >
> > *Home it helps!
> >
> > Rodrigo
> >
> >
> > 2010/7/9 Jorgen Simonsen <jorgen589.gmail.com>
> >
> > > Hi all,
> > >
> > > I am trying to compile a version 10 of amber with mpi but I am not able
> > to
> > > get it to compile. I configure the config.h file by
> > >
> > > ./configure_amber -openmpi ifort
> > >
> > > which is then created succefully and it is created for compilation with
> > > openmpi. The mpi library is load module load openmpi and I try to
> compile
> > > using
> > >
> > > make parallel
> > >
> > > I get an error which I dont know how to fix
> > >
> > > /opt/intel/Compiler/11.0/083/lib/intel64/libimf.so: warning: warning:
> > > feupdateenv is not implemented and will always fail
> > > /opt/openmpi/1.3.3-1.el5.fys.ifort.11.1/lib64/libmpi.so: undefined
> > > reference
> > > to `__intel_sse2_strlen'
> > > make[1]: *** [sander.MPI] Error 1
> > > make[1]: Leaving directory `home/amber10/src/sander'
> > > make: *** [parallel] Error 2
> > >
> > > I guess there is a library problem - how to resolve this thanks in
> > advance
> > > _______________________________________________
> > > 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
> >
> _______________________________________________
> 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 Fri Jul 09 2010 - 13:30:03 PDT
