[Pw_forum] condor grid script

Paolo Giannozzi giannozz at democritos.it
Tue Jul 8 22:43:10 CEST 2008


On Jul 8, 2008, at 21:03 , Goranka Bilalbegovic wrote:

> The error message is:
>    file /home/user/espresso/pseudo/Si.vbc.UPF not found

$HOME/espresso/pseudo is the default place where pseudopotential
files are looked for, so apparently you haven't set "pseudo_dir" to
anything. Try to set it in the input file to the current  directory,  
'./'
(it is also possible to use the environment variable ESPRESSO_PSEUDO,
but then you have to know how to set it in a grid environment). The
pseudopotential files are copied somewhere (I think into a temporary
storage called "sandbox" or something like this), and so is the  
executable.
My guess is that they are copied in the same place.

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





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