[Pw_forum] I/O problem with qe 4.0.4

merlin meheut meheut at impmc.jussieu.fr
Wed Mar 25 03:19:05 CET 2009

Dear PWSCF users,

I am trying calculating a big structure (72 atoms) with quantum  
espresso 4.0.4. With qe 3.0, I had no particular problem, but with qe  
4.0.4 I have this error message:

      from davcio : error #        99
      error while writing to file

      stopping ...

This is strange because it happened twice at the same point,  
approximately half-way to the end of the calculation.

It may be related to different problems, such as hardware, but I will  
be happy if you have any hints to make myself a more precise idea of  
the problem.
In particular, the qe 3.0 is probably in a place more easily  
accessible on the file system, so it may be related to that.

Many thanks,


Merlin Méheut
professional adress:
595 Charles Young Drive East
3806 Geology Building
Los Angeles, California 90095-1597
United States of America
tel: 310 825 7934
cell phone: 310 893 4253

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