Re: [AMBER] compiling amber 10 with mpi

From: Jorgen Simonsen <jorgen589.gmail.com>
Date: Fri, 9 Jul 2010 21:53:57 +0200

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
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> >
> >
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Received on Fri Jul 09 2010 - 13:00:04 PDT
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