[Pw_forum] Problem about running examples/example05
Paolo Giannozzi
giannozz at nest.sns.it
Wed Apr 5 17:46:26 CEST 2006
On Wednesday 05 April 2006 17:40, lan haiping wrote:
> I have run examples/example05 , and counld not complet successfully.
> I then checked the script of run_example and results, found that the file,
> si.rho.dat , was in the bin/ . Most of errors are related to the absence
> of this file.
>
> So , i would like to know how to specify this file's location in the
> PWSCF' input.
is the following paragraph in the users'guide relevant to your case?
-----------------------------------------------------------
\paragraph{Why are codes in PP/ complaining that they do not
find some files?}
For Linux PC clusters in parallel execution: in at least some
versions of MPICH, the current directory is set to the directory where
the \emph{executable code} resides, instead of being set to the
directory where the code is executed.
This MPICH weirdness may cause unexpected failures in some
postprocessing codes that expect a data file in the current directory.
Workaround: use symbolic links, or copy the executable to the current
directory.
-----------------------------------------------------------
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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