AMBER Archive (2004)

Subject: Re: AMBER: ifort -parallel

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Fri Jun 11 2004 - 10:36:36 CDT

Hi,

On Fri, 11 Jun 2004, Joachim Reichelt wrote:

> does it make sense to activate the -parallel in ifort for sander?
> We have a 2 proc Itanium system and I do not want to install mpi at now.

There is no -parallel option in amber8.
If your system does not have a native mpi then you must have access
to an installed mpi implementation.

./configure -parallel

Usage: ./configure [flags] [compiler/architecture]

...
    Parallel option flags:
      -lam Use LAM/MPI (LAM_HOME must be set)
      -mpi Use native MPI
      -mpich Use MPICH (MPICH_HOME must be set)
      -mplite Use MP_Lite (MPLITE_HOME must be set)
      -nopar Explicit request of no MPI, the default
      -scali Use SCALI (SCALI_HOME must be set)
...

Sense is relative. As a general observation,
in amber8 superlinear speedup for 2 processor mpi is
less likely than in amber7.

"... and yet there is something so amiable
in the prejudices of a young mind,
that one is sorry to see them give way to
the reception of more general opinions."

Jane Austin

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