In particular, when it is a "system" problem" (out of memory, out of
time, no disk space, ....) it cannot be trapped in regular wien2k files.
Therefore: of course, you cannot just check the dayfile !!
There is a STDOUT (either your console or in a batch job it is
redirected to some other file, its name only YOU can find out .....
Then there are *error files, and if it is a trapped error, it will give
you some hints there.
And finally you should look at the *outputXX file
Regards
On 10/12/2017 04:28 PM, Laurence Marks wrote:
The reason why lapw2 does not give the specific reason is....that this
is not always written in to the code! Unfortunately there can be many
reasons, and not everything has been trapped so user friendly output
is provided. (Sometimes it can in fact be impossible to code into
lapw2 the exact reason for a number of reasons.)
On Thu, Oct 12, 2017 at 8:31 AM, Peng Bingrui <pengbingru...@outlook.com> wrote:
Dear wien2k community
As a wien2k user, I always encounter problems like these, and I'm wondering
what are specific reasons resulting in such 'crash'.
I try to find the specific reasons, but in case.dayfile, it just reports
'LAPWxx crashed' and 'stop error', instead of telling the specific reasons.
Thank you for your atrention.
Yours,
Bingrui Peng
from the Department of Physics, Nanjing University
China
--
P.Blaha
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Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/TC_Blaha
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