[Pw_forum] Chosing output file name using the -in/input option

[Sylvian Cadars]

Hi,
Thanks for the solutions you proposed.  I tried most of them, and the 
results are summarized below:
> Is is not impossible, but normally the standard redirection ">" works 
> with (open)mpi out-of-the-box. If you cannot find the output file it 
> may indicate that the working directory used by mpirun is not the 
> directory in which you are looking for the output file; see the 
> "Current Working Directory" section of mpirun manual for details. You 
> can set the working directory explicitly using the option -wd 
> "/path/to/directory" to settle this issue.
I tried, and it does not change anything.  Just to let you know, when I 
do a ssh on each node, I get the same files and directories as on the 
master node (don't know if this helps...).
> Another issue I've had sometime, that could cause problems similar to 
> the one you've had, is related to two conflicting version of mpi. The 
> mpirun instance on the master node tries to start the wrong mpirun on 
> the other nodes. Use the --prefix option to be sure this is not your 
> case (syntax example: "mpirun --prefix /opt/openmpi-1.3.1" without 
> "/bin/")
I have not tried this yet.  I tried to change a few things that I 
believe are related to similar issues and explained on the user guide, 
but I am not sure I did this well (besides, reading it again, it does 
not seem to apply for openMPI, does it?).
http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines#Trouble_with_MKL_and_OpenMP_parallelization
Where are the typical locations where environmental variables are 
changed: my .bashrc file (I am using the bash environment)?  What is the 
correct syntax to do this?
 
> just use " > ". If redirection doesn't work on your system,
> that's another story.
Redirection does not seem to work.

> You can go to PW/startup.f90 and change
>
>   IF ( me_image /= root_image ) &
>      OPEN( UNIT = stdout, FILE = '/dev/null', STATUS = 'UNKNOWN' )
>
> into
>
>   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
I tried and it seems to work.  PWscf now does write the output in the 
file 'some_file_name'.  So I guess that the idea is then to use the 
command 'mv' in my script to change this file (thus used as a temporary 
file fir each job) to the file name I want.  Am I correct?
Am I then supposed to apply these changes to all the programs I want to 
use (e.g. gipaw.x, band.x, and maybe others) ?

Thanks.

Sylvian.


-- 
------------------------------------------------------------------------
*Dr. Sylvian CADARS*
CEMHTI-CNRS
1D, Av. de la Recherche Scientifique
45071 Orléans Cedex 2, France
Fax: +33 (0) 2 38 63 81 03
Tel: +33 (0) 2 38 25 55 04
email: sylvian.cadars at cnrs-orleans.fr
http://www.cemhti.cnrs-orleans.fr/?nom=cadars
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