[Pw_forum] condor grid script
Paolo Giannozzi
giannozz at democritos.it
Tue Jul 8 14:59:20 CEST 2008
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
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