[Pw_forum] Error restarting NEB calculation

Marcos Verissimo Alves mverissi at ictp.it
Mon Mar 5 21:19:38 CET 2007


Hi all,

I am trying to perform neb calculations on the system whose input and
error files are attached to this e-mail. I am trying to run this job at
cl-x in CINECA, but without success in the restart. I have tried using
version 3.0 as compiled in cineca, and the latest version with the patches
available from the espresso website, but with no success. The error seems
to be a read error in the .path file. Attached to this e-mail I am sending
the input for the lsf queue job run at cl-x using the latest version of
espresso, as well as the error and output files that come from it. Am I
doing something wrong, or is there anything that must be done for the
restart, which is not in the file?

Best regards,

Marcos

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

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