[Pw_forum] Error restarting NEB calculation

Marcos Verissimo Alves mverissi at ictp.it
Tue Mar 6 14:01:59 CET 2007

> restart from an interrupted run? it may or may not work, depending
> on the phase of the moon and on the mood of the operating system
> when the job crashes.

Hm... Can we control the phase of the moon, or give some prozac to the OS? :)

>> I have tried using version 3.0 as compiled in cineca, and the
>> latest version
> it is very unlikely that you can read restart files produced by a
> different version of the code

Well, I actually did not try to restart with different versions, sorry if
this seemed to be so. First I ran the job with espresso 3.0 and restarted
it with 3.0; then I downloaded the latest version, applied patches,
compiled it, ran the job from scratch and tried to restart it with the
same newly compiled version. Any suggestions to make the restart
successful? As I said, for some reason it does not read the .path file
correctly, and I cannot figure out why.


> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Condensed Matter and Statistical Physics Sector
International Centre for Theoretical Physics
Trieste, Italy


I have become so addicted to vi that I try to exit OpenOffice by typing :wq!

More information about the users mailing list