[Pw_forum] Problem with running CP

[Axel Kohlmeyer]

On Tue, 2009-06-09 at 13:34 -0700, Amos Leffler wrote:
> Dear forum,

dear amos,

>         I have been trying to run the attached file which is based on
> that in Example18.  The flle in Example18 runs properly but my

what platform are you running on: OS type/version, CPU, fortran
compiler? 

> modified version does not.  I have noted the information in the "Users
> Guide" , p28ff.  If  I leave out the EOF entries after each of the
> "Atomic Positions" the entire file reads in but no output is

this _cannot_ work. this is due to shell scripting and has little
to do with pw.x/cp.x itself. there are some linux versions that use
a /bin/sh implementation that is very minimalistic (but standard
compliant), while the run_example scripts tend to depend some
some common extensions. you have to leave the EOFs in, but you
can try replacing /bin/sh with /bin/bash.

> generated. Adding the EOF after the first Atomic_Positions, the output
> stops with the message "running the calculation with fixed ions...\c"
> .  Is there more detailed information on using CP either in espresso
> itself or elsewhere?

there should be a large number of error messages.

this has nothing to do with cp.x. the run_example script
just automates the process of generating input files and
running them. in general, it is better for manual runs to
modify the individual input files, if you are not an expert
in bourne shell scripting.

cheers,
   axel.

>         Thanks for your help.
> 
>     Amos Leffler
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-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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