Re: [AMBER-Developers] Compiling amber in parallel: config.h

From: case <case.biomaps.rutgers.edu>
Date: Thu, 10 Sep 2009 12:58:01 +0100

On Wed, Sep 09, 2009, Jason Swails wrote:

> One more thing I noticed trying to compile amber in parallel was that mpif77
> had to be changed to mpif90 in config.h in order to compile, since amber is,
> after all, fortran90 code. I'm using the intel compiler suite (though I
> believe gfortran is used by my system as the default fortran77 compiler) on
> an ubuntu linux system. Is that an action that is or will be documented
> somewhere?

Details? Generally, what is configured as an "f77" compiler for mpi is indeed
an f90 compiler. Amber does *not* use f90 module interfaces to MPI itself,
so that "mpif77" ought to do the job. That is, as far as *MPI* is concerned,
there is no f90 code being used--this is the reason that the openmpi
configuration file has the --disable-f90 flag.

So, how did you configure your MPI? What does "mpif77 -show" report? I'm not
sure that anything will work well if you have an MPI configuration that uses
gfortran as the "f77" compiler and ifort as the "f90" compiler. Is this a
standard installation?

Having said all this, it might be better to use "mpif90" if there are lots
of MPI installations like yours that don't have a functional mpif77 compiler.

...dac


_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Mon Sep 14 2009 - 13:40:06 PDT
Custom Search