[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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