[Wien] lapwso_mpi error

Md. Fhokrul Islam fislam at hotmail.com
Fri Nov 11 01:50:56 CET 2016


Hi Prof. Blaha and Wien2k users,


    I am trying to run a spin-orbit calculation for an impurity problem with a  surface supercell

containing 360 atoms. lapw1 worked fine but lapwso crashed with the following error message.

Could you please let me know how to fix it.



1. case.dayfile:


>   lapwso -up  -p -c   (00:53:15) running LAPWSO in parallel mode
**  LAPWSO crashed!
1228.960u 24.221s 21:17.83 98.0%        0+0k 7280+7712io 19pf+0w
error: command   /lunarc/nobackup/users/eishfh/SRC/Wien2k14.2-iomkl/lapwsopara -up -c lapwso.def   failed

>   stop error



2. lapwso.error:


**  Error in Parallel LAPWSO
**  Error in Parallel LAPWSO



3. output error file:


forrtl: severe (24): end-of-file during read, unit 9, file /local/slurmtmp.287632/3Mn.vectordn_1
Image              PC                Routine            Line        Source
lapwso_mpi         00000000004634E3  Unknown               Unknown  Unknown
lapwso_mpi         000000000047F3C4  Unknown               Unknown  Unknown
lapwso_mpi         000000000042BA1F  kptin_                     56  kptin.F
lapwso_mpi         0000000000431566  MAIN__                    523  lapwso.F
lapwso_mpi         000000000040B3EE  Unknown               Unknown  Unknown
libc.so.6          00002B4243E6BB15  Unknown               Unknown  Unknown
lapwso_mpi         000000000040B2E9  Unknown               Unknown  Unknown



Thanks,
Fhokrul
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161111/87734607/attachment.html>


More information about the Wien mailing list