RE: AMBER: Compiling openmpi/icc/icpc

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 8 Jun 2007 14:30:02 -0700

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

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> -----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
>
>
>
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Received on Sun Jun 10 2007 - 06:07:43 PDT
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