[Pw_forum] Problem with example02 - ph.x not working

Ivan Lou ivan_lkc2 at hotmail.com
Tue Jul 25 05:48:38 CEST 2006


Hi,

I am using Quantum-Espresso 3.1.1. I have installed the program with "make 
all", but when I run the example02, the example will freeze whenever ph.x is 
being called. This problem will not exist when I run example01 and 
example03. I have checked the processor status using "ps" and "top", and I 
found that there is no problem when running the "pw.x", but when running the 
"ph.x", the CPU is always 100% full-load but never finish running ph.x. I 
had to manually kill ph.x anyway. There is no warning message appearing on 
the screen or in the output files of example02. What is the problem with the 
ph.x?

******************** here is the result seen on the screen ***************
/home/s800000/espresso-3.1.1/examples/example02 : starting

This example shows how to use pw.x and ph.x to calculate phonon
frequencies at Gamma and X for Si and C in the diamond structure and
for fcc-Ni.

  executables directory: /home/s800000/espresso-3.1.1/bin
  pseudo directory:      /home/s800000/espresso-3.1.1/pseudo
  temporary directory:   /home/s800000/tmp

  checking that needed directories and files exist... done

  running pw.x as:  /home/s800000/espresso-3.1.1/bin/pw.x
  running ph.x as:  /home/s800000/espresso-3.1.1/bin/ph.x

  cleaning /home/s800000/tmp... done
  running the scf calculation... done
  running the phonon calculation at Gamma...
***************************************
That is where the example02 freeze and will not continue no matter how long 
I wait. Thank you very much for your help!


Ivan





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