[Pw_forum] Error message from NEB calculation
giannozz at nest.sns.it
Thu Dec 27 19:03:28 CET 2007
On Wednesday 26 December 2007 21:04, Axel Kohlmeyer wrote:
> how about changing the error message that spells out in detail
> what to do and also generate a URL that directly points to the
> troubleshooting part of the documentation on quantum-espresso.org
> and/or to start a web search, e.g., on google with querying for
> "cdiaghg error site:pwscf.org"?
in order to spell out "in detail" what the error message mean, one
has to know in detail why the error occurs. Years ago I spent several
days chasing this error. Finally I gave up: it was a random error,
occurring in a library, even on one of the best machines available
at the time (sp3); guess what may happen on a PC (Piece of Crap).
Unless somebody proves the opposite, I safely assume that it is
not a bug in the code. This completes my assignement :-)
I am also very dissatisfied with the status of error reporting in
q-e, for multiple reasons, but any improvement would require
a new interface to the error handling routine; since there are
2354 calls in the q-e suite as of today (counted using:
"grep errore */*f90| grep -i call | wc -l") my guess is that this
is not going to happen anytime soon. Suggestions welcome.
> i'm "in transit" at the moment, but give me a couple of days and
> i could generate a patch of that kind
Solutions are much more welcome than suggestions!
Paolo Giannozzi, Democritos and Udine University
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