[Pw_forum] output redirection with gipaw.x

[Sylvian Cadars]

> ------------------------------------------------------------------------
>
> Sujet:
> Re: [Pw_forum] output redirection with gipaw.x
> Expéditeur:
> Davide Ceresoli <ceresoli at MIT.EDU>
> Date:
> Tue, 25 Aug 2009 11:07:54 -0400
> Destinataire:
> PWSCF Forum <pw_forum at pwscf.org>
>
> Destinataire:
> PWSCF Forum <pw_forum at pwscf.org>
>
>
> Sylvian Cadars wrote:
>> Hi,
>> A few weeks ago, Paolo gave me a useful trick (see below) to redirect 
>> PW outputs when the "redirection doesn't work one's system".  
>> Specifically, the redirection using ">" does not work on my system, 
>> such that the output is written instead in the output file that is 
>> automatically generated by the submission system (OAR in this case).
>>
>> The trick was to go to PW/startup.f90 and change
>>
>>   IF ( me_image /= root_image ) &
>>      OPEN( UNIT = stdout, FILE = '/dev/null', STATUS = 'UNKNOWN' )
>>
>> into
> Is this in PW/startup.f90?
>>
>>   IF ( me_image /= root_image ) THEN
>>      OPEN( UNIT = stdout, FILE = '/dev/null', STATUS = 'UNKNOWN' )
>>   ELSE
>>      OPEN( UNIT = stdout, FILE = 'some_file_name', STATUS = 'UNKNOWN' )
>>   END IF
> Then you don't need to care about GIPAW. GIPAW calls the same
> startup routine as PW does.
>
Dear Davide,

Thank you for your answer.  If GIPAW calls the same startup routine as 
PW does, then something else does not work the same way between the pw 
and gipaw, since whereas pw.x now automatically writes the output into 
the default file ("some_file_name" in the example below) , gipaw.x does 
not, and keeps writing the files into the output of the submission 
system (OAR in my case).  Is there something else I can try?

Another problem I have with GIPAW is that is does not seem to use the 
environment variable "ESPRESSO_TMPDIR" when the "outdir" variable is not 
defined in the "&control" section, as PW does.   This is particularly 
ennoying because I am trying to run both the 'scf' and 'nmr' 
calculations in a single job, in which the the temporary output 
(including "prefix.save") is a directory whose name includes the jobID  
(e.g., /work/login/espresso_tmp/jobID).
This works very well for pw, but then the gipaw module does not locate 
the /work/login/espresso_tmp/jobID/prefix.save file, or so it seems to 
since I get the following error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from pp_check_file : error #         2
     file ./scratch/test02.save not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Is this observation (namely that GIPAW does use the environment variable 
"ESPRESSO_TMPDIR" when "outdir" is not defined) correct?  Is there 
another environment variable that plays the same role in the GIPAW module?
Thanks.

Sylvian.


*Dr. Sylvian CADARS*
CEMHTI-CNRS
1D, Av. de la Recherche Scientifique
45071 Orléans Cedex 2, France
email: sylvian.cadars at cnrs-orleans.fr

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