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

Sylvian Cadars sylvian.cadars at cnrs-orleans.fr
Tue Jul 14 10:58:15 CEST 2009


Hi,
I recently installed quantum espresso on a cluster machine equipped with 
openmpi and the OAR job submission system.  Using the standard syntax:
mpirun -np [n.o.cpus] /path/to/pw.x < inputfile.in > outputfile.out
I found that the job would only use processors within a single node, 
such that there are several pw.x processes running on each CPU if the 
number of specified CPUs is larger than the number of CPUs per node, 
while other remain unused.

This problem is partially solved using the "-in/input" syntax:
mpirun -np [n.o.cpus] /path/to/pw.x -in inputfile.in > outputfile.out
(as in 
http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines#Trouble_with_input_files)

That is: the job actually uses the number of requested CPUs, including 
when the number of requested CPUs is greater than the number of CPUs per 
node.  However, a problem remains with the redirection of the output.  
Instead of writing the output in "ouputfile.out " pw.x writes it in the 
OAR output (OAR.jobID.stdout).

In summary, the question is: how can I chose my output file when using 
the -in/input option ?

Thanks for your help.
Best regards.

Sylvian

-- 
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*Dr. Sylvian CADARS*
CEMHTI-CNRS
1D, Av. de la Recherche Scientifique
45071 Orléans Cedex 2, France
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