[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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