[Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

[Gavin Abo]

Since the crash happens in lapw2, in the lapw2para_lapw script file, it 
looks like messages might be written to the .time2_*, .stdout2_*, or 
:parallel files depending on the settings in your parallel_options and 
.machines file.  So you could try checking for error messages in these 
files with something like:

cat .time2_*
cat .stdout2_*
cat :parallel

You might also have to run the last command given in the :log file by 
itself or look into the input/output files for the program (refer to 
'Table 4.3: Input and output files of main programs in an SCF cycle' in 
the WIEN2k usersguide) that crashed to determine the cause of the error  
[ 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011904.html 
].

Based on reports of the "Error in SUMPARA" before [ 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-June/009291.html , 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05637.html 
], it might happen if a case.scf2* file cannot be found.

On 1/1/2016 1:14 PM, hassan jamnejad wrote:
>
> Dear Prof. Peter Blaha,
>
> I want to do a LDA+U calculation for a compound, First I ran SCF 
> calculation using 4 x 8 (= 32 processors) in my cluster . But the job 
> terminates with the following errors
>
>
>       in dayfile:
>
> /** LAPW2 crashed!/
>
> /1.6u 3.1s 0:07.72 61.7% 0+0k 0+1776io 0pf+0w/
>
> /error: command /home/pars/wien2k/13.1/lapw2para -up uplapw2.def   failed/
>
> in Lapw2.error file:
> /**  testerror: Error in Parallel LAPW2/
>
> in upsumpara.error file:
>
> /Error in SUMPARA
>
> /
>
> in the same time if I run LDA+U calculation in serial mode the  SCF 
> calculation was run successfully. Also when I just run LDA calculation 
> in parallel mode the  SCF calculation was run successfully too. This 
> means neither LDA+U calculation nor parallel calculation have problem. 
> Meanwhile I searched in the mail list. I found some similar errors, 
> but I couldnot find my answer. Please suggest me how to rectify above 
> errors?
>
> Thanks in advance
>
> Regards
> H. Jamnejad
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