Fortran 90 and BeoMPI

[Bogdan Costescu]

On Wed, 14 Mar 2001, Jag wrote:

> I've never had to compile these programs before,

Lucky you!  8-)

> ... but shouldn't they have their own configure/Makefile system setup so
> that you don't have to do the linking and such by hand?

Given that these are programs that run on a multitude of platforms, they
expect some kind of common denominator. For example, they try to link with
libmpi.a or libmpi.so (-lmpi). Now show me with either LAM-MPI or MPICH
how this would work 8-)
Since late last year, CHARMM has two new install options: LAMMPI and MPICH
which are used for signaling that the Makefile has to be modified to add
the respective libraries, while it functioned for years on non-Linux
platforms with just -lmpi. However, I never use these options: I always
modify the Makefile to replace f77 with mpif77 and I don't care about the
rest.

There is another problem: when you have several compilers installed on the
same system and different MPI libraries compiled for each of them. The
SCore system, for example, provides an option (e.g. mpif77 -fc pgi) in
order to choose which combination of compiler, flags and include/libraries
to use. The same would probably apply to MPI on top of several transport
libraries, each with their own include/libs.

Sincerely,

Bogdan Costescu

IWR - Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen
Universitaet Heidelberg, INF 368, D-69120 Heidelberg, GERMANY
Telephone: +49 6221 54 8869, Telefax: +49 6221 54 8868
E-mail: Bogdan.Costescu at IWR.Uni-Heidelberg.De