[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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