[Wien] lapw2 error

[Laurence Marks]

A general comment: what to do when you have a crash.
1) Look in case.dayfile (where case refers to the generic name you
have, in this instance "host"). Often this will have more information
at the end.
2) Look in the file ":log" -- this may also have information at the end.
3) Look in the file(s) task.error where "task" is the command (i.e.
uplapw2 for what you did). If the files with "error" at the end are
empty that means that there was no problem; if they are not they may
contain some useful information. Unfortunately often the error
messages are not that useful.
4) Look in the file(s) case.outputXX where "XX" is the command in a
slightly different form from 3), and XX corresponds to what you have
in terms of spin (i.e. up/dn) as well as the division among machines.
In your case it would be files host.output2up_1, host.output2up_2 and
similar. Again, at the end there may be some information.
5) If none of the above gets you anywhere, try running the task that
crashed by itself, i.e. do for your problem (at a terminal)

x lapw2 -p -up

Some combination of 1)-5) will probably give you information about
what the source of the problem is, and then by looking at the
documentation and/or searching the email list you will find some
information about what to do. If you still cannot get anywhere you
would need to send an email with the relevant case.outputXX file
attached and any information at the end of :log and case.dayfile -- we
would need this information to help you.

On Sat, Dec 6, 2008 at 12:10 AM, Anurag Chaudhry
<anuragchaudhry at yahoo.co.uk> wrote:
> Hello,
> I trying to learn WIEN2k and have run the examples of TiC and FCC Ni
> successfully.  But for another system of interest to me I get the error
> message which says --
> ============================from .dayfile==============
>
>  start 	(Fri Dec  5 21:52:47 PST 2008) with lapw0 (40/99 to go)
>
>     cycle 1 	(Fri Dec  5 21:52:47 PST 2008) 	(40/99 to go)
>
>>   lapw0 -p	(21:52:47) starting parallel lapw0 at Fri Dec  5 21:52:47 PST
>> 2008
> --------
> running lapw0 in single mode
> 37.079u 9.597s 0:46.92 99.4%	0+0k 0+10io 0pf+0w
>>   lapw1  -up -p  	(21:53:34) starting parallel lapw1 at Fri Dec  5
>> 21:53:35 PST 2008
> ->  starting parallel LAPW1 jobs at Fri Dec  5 21:53:35 PST 2008
> running LAPW1 in parallel mode (using .machines)
> 2 number_of_parallel_jobs
>      localhost(4) 160.358u 2.875s 2:46.86 97.8%	0+0k 0+15io 0pf+0w
>      localhost(4) 155.426u 2.762s 2:43.65 96.6%	0+0k 0+9io 0pf+0w
>    Summary of lapw1para:
>    localhost	 k=8	 user=315.784	 wallclock=330.51
> 316.162u 6.220s 2:48.70 191.0%	0+0k 0+38io 7pf+0w
>>   lapw1  -dn -p  	(21:56:23) starting parallel lapw1 at Fri Dec  5
>> 21:56:23 PST 2008
> ->  starting parallel LAPW1 jobs at Fri Dec  5 21:56:23 PST 2008
> running LAPW1 in parallel mode (using .machines.help)
> 2 number_of_parallel_jobs
>      localhost(4) 156.918u 2.817s 2:44.36 97.1%	0+0k 0+10io 0pf+0w
>      localhost(4) 154.626u 2.792s 2:43.02 96.5%	0+0k 0+24io 0pf+0w
>    Summary of lapw1para:
>    localhost	 k=8	 user=311.544	 wallclock=327.38
> 311.912u 6.173s 2:45.66 192.0%	0+0k 0+49io 0pf+0w
>>   lapw2 -up -p 	(21:59:09) running LAPW2 in parallel mode
> **  LAPW2 crashed!
> 0.873u 0.456s 0:03.72 35.4%	0+0k 0+26io 1pf+0w
> error: command   /Users/anurag/WIEN2K/lapw2para -up uplapw2.def   failed
>
>>   stop error
>
> =========================
>
> I do not know the source of this error since examples of TiC and FCC Ni ran
> successfully.  The input structure file is attached with this mail.
>
> The code is compiled on a Intel Core 2 Duo Macbook running OS X 10.5.5 with
> Intel Fortran 10.0 compilers.
>
> Can anyone please suggest a solution to this issue ?
>
> Thanks and regards,
>
> Anurag
>
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.