[Pw_forum] Error running pwcond example

Axel Kohlmeyer akohlmey at gmail.com
Mon Apr 25 21:54:10 CEST 2016


On Mon, Apr 25, 2016 at 3:36 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> I think it is sufficient to remove the redirection of  /dev/null in
> routine PWCOND/src/print_clock_pwcond.f90, recompile. The redirection is
> done anyway, in a windows-aware more, at startup
>

if you make this change, i suggest ​you grep through the source to see if
there is some other code that has copied from there and tries to open
/dev/null. ;-)

axel.​



>
> Paolo
>
> On Mon, Apr 25, 2016 at 7:23 PM, Axel Kohlmeyer <akohlmey at gmail.com>
> wrote:
>
>>
>>
>> On Mon, Apr 25, 2016 at 1:13 PM, Ravish Jamnal <ravishjamnal22 at gmail.com>
>> wrote:
>>
>>> Hi All,
>>>
>>> I am new to quantum espresso and wanted to learn how to use the pwcond
>>> package. So to start working with it I tried to run the examples given
>>> on Alexandre Smogunov's home page. I ran the lead.in file for the
>>> example 'Perfect monatomic Al wire without any scatterer (a test case)' and
>>> it completed successfully giving me the lead.out file. But I am confused
>>> about the cond.in file. When I ran it, I got a cond.out file and also
>>> a trans.alwire file but I also got an error message on the command window
>>> of which I have attached a screenshot. So, I want to know how can I remove
>>> this error?
>>>
>>
>> ​you will have to teach the pwcond software that there is no /dev/null
>> file on windows and either implement a less sloppy way to turn off output
>> for MPI ranks != 0 or implement the equivalent for windows (which should be
>> "nul:", IIRC).
>>
>> axel.
>>
>>
>>
>>>
>>> Best Regards,
>>> Ravish
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.
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