Is there any traceback in the standard output to the terminal or to the
standard output file (if using a queue system)?
In other words a message similar to the "forrtl: severe (24):
end-of-file during read, unit 30" in the post at [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15535.html
].
Still seems like there isn't enough information to tell what the cause
of it is.
Might be from the compiler used to compile WIEN2k. There were many I/O
issues encountered by users that used the Intel 2016, 2017 and 2018
versions [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17023.html
].
It might also be due to one of the many spin orbit bugs that were found
and fixed since the WIEN2k 17.1 version [
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ,
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19074.html
], but you would need to try the same calculation from the beginning
using the latest WIEN2k version to see if fixes the problem or not.
Another possibility might be that the node ran out of memory due to the
known memory leak [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19050.html
,
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18798.html
].
There are other possibilities such as network or disk space issues [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15536.html
].
On 10/3/2019 5:16 AM, Paresh Rout wrote:
Dear Prof. Marks:
Thank you for your reply. Unfortunately, I did not receive your email
but found your reply in wien archive.
After doing cat *error. I found the following error message
'LAPW2' - can't open unit: 30
'LAPW2' - filename: Lu2NiIrO6.energysoup_21
** testerror: Error in Parallel LAPW2
----------------------------------------------------------------
and found that the file *Lu2NiIrO6.energysoup_21* does not exist in
the working directory. I followed the procedure i.e first ran GGA+U
calculation which successfully ended and then initialized the SOC
interactively (initso_lapw). Please find case.day file
attached below. Kindly let me know if anything needs to be done.
Best regards,
Paresh
Paresh Chandra Rout
Postdoctoral Researcher
King Abdullah University of Science and Technology (KAUST)
Thuwal 23955-6900
Kingdom of Saudi Arabia
Mobile: +966 565671754
Email address: paresh.r...@kaust.edu.sa <mailto:paresh.r...@kaust.edu.sa>
3231-WS13
On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout <paresh.r...@kaust.edu.sa
<mailto:paresh.r...@kaust.edu.sa>> wrote:
Dear all,
I am doing SOC calculation in wien2k_17. I am getting some error
in between SCF calculation (around 9th or 10th cycle) as below.
> lapw2 -up -p -c -so (13:21:14) running LAPW2 in
parallel mode
** LAPW2 crashed!
0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w
error: command
/sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara
-up -c -so uplapw2.def failed
> stop error
Could you please help me out with this?
Best regards,
Paresh
Paresh Chandra Rout
Postdoctoral Researcher
King Abdullah University of Science and Technology (KAUST)
Thuwal 23955-6900
Kingdom of Saudi Arabia
Mobile: +966 565671754
Email address: paresh.r...@kaust.edu.sa
<mailto:paresh.r...@kaust.edu.sa>
3231-WS13
------------------------------------------------------------------------
This message and its contents, including attachments are intended
solely for the original recipient. If you are not the intended
recipient or have received this message in error, please notify me
immediately and delete this message from your computer system. Any
unauthorized use or distribution is prohibited. Please consider the
environment before printing this email.
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
