[Pw_forum] Problem running pw4gww.x

[Paolo Giannozzi]

On Nov 20, 2010, at 1:19 , Somnath wrote:

> # FROM IOTK LIBRARY, VERSION 1.2.0

> The scf part is running fine and the pw4gww part is giving trouble.
> I am wondering whether it is a bug or there is some problem with
> my compilation ?

third message on the same subject in three days...enough to
justify an item in the FAQ (not that anybody will read it). Just added:
---
\paragraph{The code stops with a mysterious error in IOTK}

IOTK is a toolkit that reads/writes XML files. There are frequent
reports of mysterious errors with IOTK not finding some variable
in the XML data file. If this error has no obvious explanation
(e.g. the file is properly written and read, the searched variable
is present, etc) and if it appears to be erratic or irreproducible
(e.g. occurs only with version X of compiler Y), it is almost certainly
due to a compiler bug. Try to reduce optimization level, or  use a
different compiler. If you paid real money for your compiler,
complain with the vendor.
---
Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222