[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
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