[Pw_forum] how to control the writing of wavefunction

Huiqun Zhou hqzhou at nju.edu.cn
Fri Dec 14 10:45:49 CET 2007


Yuehua,

You don't need to issue mpirun command that way, just to point outdir
to a local directory, say /tmp/your_job, as Lorenzo suggested, but note
you must have read/write permission for the directory.

If you belong to the condensed matter physics group of Nanjing University,
the cluster you are using should be built using ROCKS. Then, everything is
easy, just run

$ cluster-fork mkdir /state/partition1/yuehua 

This command will create a folder on every compute nodes.
then, set "outdir = /state/partition1/yuehua/" in your input file.


Huiqun Zhou
@Earth Sciences, Nanjing University, China

  ----- Original Message ----- 
  From: xu yuehua 
  To: PWSCF Forum 
  Sent: Friday, December 14, 2007 4:36 PM
  Subject: Re: [Pw_forum] how to control the writing of wavefunction


  sorry, in fact ,"want" is  mpirun -np 8 mkdir -p /tmp/xy-job .and the error message :
  Warning: Command line arguments for program should be given
  after the program name.  Assuming that -p is a
  command line argument for the program.
  Warning: Command line arguments for program should be given
  after the program name.  Assuming that /tmp/xy-job is a
  command line argument for the program.
  Missing: program name
  Program mkdir either does not exist, is not 
  executable, or is an erroneous argument to mpirun. 



   
  2007/12/14, Paolo Giannozzi <giannozz at nest.sns.it>: 

    On Dec 14, 2007, at 9:09 , xu yuehua wrote:

    > thank you .although it does not work

    what "does not work", and what do you mean by 
    "does not work"?
    ---
    Paolo Giannozzi, Dept of Physics, University of Udine
    via delle Scienze 208, 33100 Udine, Italy
    Phone +39-0432-558216, fax +39-0432-558222



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  -- 
  Xu Yuehua
  physics Department of Nanjing university
  China 


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