[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
--
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
----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.
More information about the users
mailing list