[Pw_forum] Hybridfunctionals in QE 5.1

[Paolo Giannozzi]

On Wed, 2014-10-22 at 10:43 +0200, Florian Lazarevic wrote:

> PS: Unfortunately one of my favorite features - restart from hard 
> crashes - is no longer supported. 
> Are there plans to change this feature back.

no, or at least, not now. Restart from hard crashes has always been
unpredictable. There is already the possibility to catch signals
(see Modules/set_signals.f90) and save files for restart. This 
however will work only in some selected case, for instance if a
job queue sends an appropriate signal when CPU time has been 
exceeded, leaving enough time to save files.

Sooner or later some form of protection against failing nodes
in large parallel machines must be added, but it is not going
to be easy and it is not going to be soon.

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