[Q-e-developers] Meta_ionode output during image parallelization

[Paolo Giannozzi]

On Jan 19, 2011, at 21:31 , William Parker wrote:

> In Modules/environment.f90 subroutine environment_start,
> there is no line to open an output file on the meta_ionode as
> there are for all of the root_image's.  Is there a reason for this?

maybe there isn't any good reason, or there is just a historical reason
(i.e. not a good one). In image parallelization of NEB, there are  
further
redirections of stdout that are done in the self-consistent calculation.
The management of I/O for NEB is confusing, to say the least. Maybe
in the case of phonons, this has not been done and the output from
the first image goes nowhere, or to the terminal. Note that there have
been serious changes in NEB and more will follow, potentially affecting
image parallelization

> If there's no reason against it, I'm happy to commit this to CVS.
> With the change, I get a out.0_0 including the information I want.

ok, please go ahead. If there are unexpected side effects in NEB,
at least we know why and what to do.

> Also, did anyone take notes at the recent meeting

sort of

> and will they be made available?

sooner or later. In the meantime, you can have a look at this wiki page:
    http://www.quantum-espresso.org/wiki/index.php/Projects
collecting some info on current and future projects.

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222