[Wien] SOC Error

[Paresh Rout]

Hi,
This is the message found in the std.out file

The job 11236734 is running on nid0[1035-1038]
cleaning /lustre/project/k1361/Projects_Paresh/.New_projects
in cycle 2    ETEST: .3777251600000000   CTEST: .038764

>   stop error

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


On Thu, Oct 3, 2019 at 2:16 PM Paresh Rout <paresh.rout at kaust.edu.sa> 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.rout at kaust.edu.sa
> 3231-WS13
>
>
> On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout <paresh.rout at 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.rout at kaust.edu.sa
>> 3231-WS13
>>
>

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