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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