[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







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