Dear wien users,
thank for your attention, based on your advise I checked “STDOUT“ and
“parallel” files . Below is the details .
*STDOUT*
.
.
.
STOP LAPW1 END
real 0m5.669s
user 0m16.792s
sys 0m0.992s
STOP LAPW2 - FERMI; weighs written
STOP STOP LAPW2 END
LAPW2 END
STOP LAPW2 END
STOP LAPW2 END
real 0m1.812s
user 0m2.188s
sys 0m0.432s
STOP LAPW2 END
STOP LAPW2 END
STOP LAPW2 END
STOP LAPW2 END
real 0m1.782s
user 0m2.164s
sys 0m0.448s
At line 332 of file sumpara.f (unit = 10, file = 'LaXX.dmatup_1')
Fortran runtime error: Bad integer for item 1 in list input
cp: cannot stat ‘.in.tmp’: No such file or directory
>; stop error
*:parallel *
.
.
starting parallel lapw1 at Sat Jan 2 12:24:24 IRST 2016
vHost3 vHost3 vHost3 vHost3(4) vHost4 vHost4 vHost4 vHost4(4)
Summary of lapw1para:
vHost3 k=0 user=0
wallclock=240
vHost4 k=0 user=0
wallclock=240
<;- done at Sat Jan 2 12:24:36 IRST 2016
-----------------------------------------------------------------
starting parallel lapw1 at Sat Jan 2 12:24:38 IRST 2016
vHost3 vHost3 vHost3 vHost3(4) vHost4 vHost4 vHost4 vHost4(4)
Summary of lapw1para:
vHost3 k=0 user=0
wallclock=240
vHost4 k=0 user=0
wallclock=240
<;- done at Sat Jan 2 12:24:50 IRST 2016
-----------------------------------------------------------------
->; starting Fermi on wien2kServer at Sat Jan 2 12:24:54 IRST 2016
->; starting parallel lapw2 at Sat Jan 2 12:24:54 IRST 2016
vHost3
vHost4
Summary of lapw2para:
vHost3 user=0 wallclock=0
vHost4 user=0 wallclock=0
<;- done at Sat Jan 2 12:24:58 IRST 2016
->; starting sumpara 2 on wien2kServer at Sat Jan 2 12:24:59 IRST 2016
** LAPW2 crashed at Sat Jan 2 12:25:00 IRST 2016
** check ERROR FILES!
I will be glad to know your suggestion
thanks
H. Jamnejad
*Gavin Abo* gsabo at crimson.ua.edu
<wien%40zeus.theochem.tuwien.ac.at?Subject=Re%3A%20%5BWien%5D%20Error%20in%20lapw2%20running%20in%20the%20LDA%2BU%20calculation%20in%0A%20parallel%20mode&In-Reply-To=%3C568708A7.8010405%40crimson.ua.edu%3E>
*Sat Jan 2 00:15:51 CET 2016*
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.
---------- Forwarded message ----------
From: hassan jamnejad <hassan.jamne...@gmail.com>
Date: Fri, Jan 1, 2016 at 11:44 PM
Subject: Error in lapw2 running in the LDA+U calculation in parallel mode
To: wien@zeus.theochem.tuwien.ac.at
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 could not
find my answer. Please suggest me how to rectify above errors?
Thanks in advance
Regards
H. Jamnejad
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