[Wien] lapw2 crashed error

Tran, Fabien fabien.tran at tuwien.ac.at
Mon Nov 25 17:42:47 CET 2019


Restart the calculation. Maybe then it works.


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik.rku at gmail.com>
Sent: Monday, November 25, 2019 5:36 PM
To: wien-request at zeus.theochem.tuwien.ac.at; wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] lapw2 crashed error

Hello Wien2k user,
Greetings!
I am running scf cycle with hf potential. When I run the command "run_lapw -hf -p", then after successful completion of 7 cycles, I found error in cycle 8. In terminal it is represented as follows:
____________________________________________________
in cycle 8    ETEST: .0004919150000000   CTEST: .0035867
hup: Command not found.
 LAPW0 END
 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
sed: Command not found.
LAPW2 - Error. Check file lapw2.error
cp: cannot stat '.in.tmp': No such file or directory

>   stop error
------------------------------------------------------------------------------

When I checked lapw2.error file I found following details:
_____________________________________________________
'LAPW2' - can't open unit: 10
 'LAPW2' -        filename: /case.vector
 'LAPW2' -          status: unknown      form: unformatted
**  testerror: Error in Parallel LAPW2
---------------------------------------------------------------------------------------

I also tried to search and understand the previous threads, but I was unable to do so. Kindly suggest me why this error is appearing and how can it be resolved?

Thanks and Regards
Peeyush Kumar Kamlesh
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