[Wien] SOC Error

[Paresh Rout]

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.rout at kaust.edu.sa
3231-WS13

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