Ross:
Thanks. Yes, I plan to use already installed Intel
Fortran V 9.1.036 and C++ 9.1.042 for both Amber and
MPI (instead of the GNU compilers I have on Linux
Debian amd64 etch).
Actually, that Intel Fortran already provides runtime
to a QM code (NWChem 5.0, which, on my machine, does
not depend on MPI for parallelization) installed on
that dual-core opterons machine:
francesco.deb64:~$ locate libimf.so
/opt/intel/fce/9.1.036/lib/libimf.so
/opt/intel/cce/9.1.042/lib/libimf.so
francesco.deb64: ~$
Should that be taken into account, or could that give
rise to any problem, with the Amber9/openMPI
compilations?
cheers
francesco
--- Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Francesco,
>
> The issue is that to avoid problems at the linking
> stage of the compilation
> you should make sure you use the same make and
> version of the compilers that
> you use to compile amber to compile the mpi
> implementation. Strictly it only
> needs to be the same version of the fortran compiler
> since none of Amber's c
> or c++ code uses MPI, only the Fortran code.
> However, you are opening
> yourself up for problems doing the actual openMPI
> compilation if you try to
> mix c,c++ and fortran compilers from different
> vendors.
>
> I hope this helps,
> Good luck
> Ross
>
> /\
> \/
> |\oss Walker
>
> | HPC Consultant and Staff Scientist |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:-
> ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on
> request |
>
> Note: Electronic Mail is not secure, has no
> guarantee of delivery, may not
> be read every day, and should not be used for urgent
> or sensitive issues.
>
> > -----Original Message-----
> > From: owner-amber.scripps.edu
> > [mailto:owner-amber.scripps.edu] On Behalf Of
> Francesco Pietra
> > Sent: Friday, June 08, 2007 10:27
> > To: Amber
> > Subject: AMBER: Compiling openmpi/icc/icpc
> >
> > Why both icc and icpc drivers should be set to
> compile
> > openmpi (p. 8 manual)?
> >
> > Does this apply to the Intel C++ Compiler for
> Linux
> > Version 9.1.042 and openmpi Version 1.2.1 ?
> >
> > I am just planning, having such compiler and
> openmpi,
> > while waiting the amber9 CD.
> >
> > Thanks
> >
> > francesco pietra
> >
> >
> >
> >
>
______________________________________________________________
> > ______________________
> > The fish are biting.
> > Get more visitors on your site using Yahoo! Search
> Marketing.
> >
>
http://searchmarketing.yahoo.com/arp/sponsoredsearch_v2.php
> >
>
--------------------------------------------------------------
> > ---------
> > The AMBER Mail Reflector
> > To post, send mail to amber.scripps.edu
> > To unsubscribe, send "unsubscribe amber" to
> majordomo.scripps.edu
> >
>
>
>
-----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to
> majordomo.scripps.edu
>
____________________________________________________________________________________
Need a vacation? Get great deals
to amazing places on Yahoo! Travel.
http://travel.yahoo.com/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jun 10 2007 - 06:07:47 PDT
