[Pw_forum] condor grid script

[Paolo Giannozzi]

On Jul 1, 2008, at 20:05 , Goranka Bilalbegovic wrote:

> [...]  the Condor-G submission script is similar to:
>
> --------------------------------------------
> executable =/home/user/espresso-4.0/bin/pw.x
> transfer_executable=true
> should_transfer_files = yes
> when_to_transfer_output = ON_EXIT
> transfer_input_files =/home/user/espresso-4.0/pseudo/Si.vbc.UPF
> universe=grid
> grid_resource=gt2 .../jobmanager-sge
> output = pw_condor.out
> error = pw_condor.err
> log = pw_condor.log
> input = siscf.in
> globusrsl=(jobType=mpi)(count=1)
> queue
> --------------------------------------------------
>
> Job (the first part of example01) runs, but I do not know how to write
> the lines "transfer_input_files", "arguments",..., and/or  pseudo_dir=
>  in siscf.in to read the pseudopotential file [...] The error is  
> always:
>
>      from readpp : error #        29
>      file ... Si.vbc.UPF not found

this is very funny: three dots and a space? Anyway: I would try first  
to set
pseudo_dir='./' in siscf.in . This will search for file Si.vbc.UPF in  
the
current directory (whatever it is).

Disclaimer: I know close to nothing about the grid.

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