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

[Lex Kemper]

Hi Sylvian,

This sounds more like an MPI/compilation problem to me than an inputfile 
issue. Are you sure that the cluster is set up right (I don't know if 
you maintain it), and that Q-E is compiled correctly?

Lex Kemper
Department of Physics
University of Florida

Sylvian Cadars wrote:
> 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
>