[Pw_forum] Does not disk_io='low' work with calculation='bands'?
Paolo Giannozzi
giannozz at democritos.it
Sat Jul 30 17:22:49 CEST 2011
On Jul 30, 2011, at 15:17 , GAO Zhe wrote:
> from davcio : error # 99
> error while reading from file
> Is this phenomenon means disk_io = 'low' cannot be used during
> calculation='bands' and 'nscf'?
there is actually some problem with disk_io option in non-scf
calculations.
It will be fixed sooner or later. The entire logic (or lack of it) of
this option
has to be reviewed.
> I am afraid disk_io = 'default' would lower speed when model was huge
it will cause more disk I/O and use more disk space, but less RAM space
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users
mailing list