[Wien] LAPW2 END
محمد ارشد فرحان
arshadfarhan at gmail.com
Tue Oct 23 10:51:00 CEST 2012
you can try looking in "case.dayfile" or case error file (some thing like *
case_title.e???* for example in your case, it may be
NiFe2O4.e??? where *???* is job submission number to the
cluster)
there should be a total of 4 files case_title.e??? , case_title.pe??? ,
case_title.o??? and case_title.po???
by the way, case.def just tells you which files this program needs as
input and which files it will produce after execution.
On Tue, Oct 23, 2012 at 4:20 AM, Mohamed ouaissa <m.ouaissa at yahoo.fr> wrote:
> Dear WIEN2k users
> That's what i have found in data in files .def and .erros
> i have checked dndstart.def and i have found this:
> 6,'NiFe2O4.outputddn','unknown','formatted',0
> 13,'NiFe2O4.in0_std','unknown', 'formatted',0
> 14,'NiFe2O4.in0','old', 'formatted',0
> 15,'NiFe2O4.in2', 'old', 'formatted',0
> 17,'NiFe2O4.in1', 'old', 'formatted',0
> 16,'NiFe2O4.test', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 81,'NiFe2O4.rspdn', 'old', 'formatted',0
> 51,'NiFe2O4.clmdn', 'unknown','formatted',0
> and in dndstart.error i have found nothing
>
> dnlapw1.def i have found this:
> 4,'NiFe2O4.klist', 'unknown','formatted',0
> 5,'NiFe2O4.in1', 'old', 'formatted',0
> 6,'NiFe2O4.output1dn','unknown','formatted',0
> 10,'./NiFe2O4.vectordn', 'unknown','unformatted',9000
> 11,'NiFe2O4.energydn', 'unknown','formatted',0
> 18,'NiFe2O4.vspdn', 'old', 'formatted',0
> 19,'NiFe2O4.vnsdn', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 21,'NiFe2O4.scf1dn', 'unknown','formatted',0
> 55,'NiFe2O4.vec', 'unknown','formatted',0
> 71,'NiFe2O4.nshdn', 'unknown','formatted',0
> 7,'NiFe2O4.vorbdn' ,'unknown','formatted',0
> 200,'./NiFe2O4.storeHinvdn', 'replace','unformatted',9000
> and dnlapw1:error i have found nothing
> and dnlapw2.def i have found this:
> 2,'NiFe2O4.nshdn', 'unknown','formatted',0
> 3,'NiFe2O4.in1', 'unknown','formatted',0
> 4,'NiFe2O4.inso', 'unknown','formatted',0
> 5,'NiFe2O4.in2', 'old', 'formatted',0
> 6,'NiFe2O4.output2dn','unknown','formatted',0
> 7,'NiFe2O4.vorbdn','unknown','formatted',0
> 8,'NiFe2O4.clmvaldn','unknown','formatted',0
> 10,'./NiFe2O4.vectordn', 'unknown','unformatted',9000
> 11,'NiFe2O4.weightdn', 'unknown','formatted',0
> 13,'NiFe2O4.recprlist', 'unknown','unformatted',9000
> 14,'NiFe2O4.kgen', 'unknown','formatted',0
> 15,'NiFe2O4.tmpdn', 'unknown','unformatted',0
> 16,'NiFe2O4.qtldn', 'unknown','formatted',0
> 17,'NiFe2O4.weightaverdn','unknown','formatted',0
> 18,'NiFe2O4.vspdn', 'old', 'formatted',0
> 19,'NiFe2O4.vnsdn', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 21,'NiFe2O4.scf2dn', 'unknown','formatted',0
> 22,'NiFe2O4.rotlm', 'unknown', 'formatted',0
> 23,'NiFe2O4.radwfdn', 'unknown', 'formatted',0
> 24,'NiFe2O4.almblmdn', 'unknown', 'formatted',0
> 26,'NiFe2O4.weighdn', 'unknown','unformatted',0
> 27,'NiFe2O4.weighup', 'unknown','unformatted',0
> 29,'NiFe2O4.energyup','unknown','formatted',0
> 30,'NiFe2O4.energydn', 'unknown','formatted',0
> 32,'NiFe2O4.qdmftdn', 'unknown', 'formatted',0
> 34,'NiFe2O4.oubwindn', 'unknown', 'formatted',0
> 231,'NiFe2O4.dmftsym', 'unknown', 'formatted',0
> and dnlapw2.error i have found nothing
>
> dnstart.def i have found this:
> 6,'NiFe2O4.outputd','unknown','formatted',0
> 13,'NiFe2O4.in0_std','unknown', 'formatted',0
> 14,'NiFe2O4.in0','old', 'formatted',0
> 15,'NiFe2O4.in2', 'old', 'formatted',0
> 17,'NiFe2O4.in1', 'old', 'formatted',0
> 16,'NiFe2O4.test', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 81,'NiFe2O4.rsp', 'old', 'formatted',0
> 51,'NiFe2O4.clmsum', 'unknown','formatted',0
> and dnstart.error i have found nothing
>
> updstart.def i have found this :
> 6,'NiFe2O4.outputdup','unknown','formatted',0
> 13,'NiFe2O4.in0_std','unknown', 'formatted',0
> 14,'NiFe2O4.in0','old', 'formatted',0
> 15,'NiFe2O4.in2', 'old', 'formatted',0
> 17,'NiFe2O4.in1', 'old', 'formatted',0
> 16,'NiFe2O4.test', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 81,'NiFe2O4.rspup', 'old', 'formatted',0
> 51,'NiFe2O4.clmup', 'unknown','formatted',0
> and updstart.error i have found nothing
>
> uplapw1.def i have found this :
> 4,'NiFe2O4.klist', 'unknown','formatted',0
> 5,'NiFe2O4.in1', 'old', 'formatted',0
> 6,'NiFe2O4.output1up','unknown','formatted',0
> 10,'./NiFe2O4.vectorup', 'unknown','unformatted',9000
> 11,'NiFe2O4.energyup', 'unknown','formatted',0
> 18,'NiFe2O4.vspup', 'old', 'formatted',0
> 19,'NiFe2O4.vnsup', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 21,'NiFe2O4.scf1up', 'unknown','formatted',0
> 55,'NiFe2O4.vec', 'unknown','formatted',0
> 71,'NiFe2O4.nshup', 'unknown','formatted',0
> 7,'NiFe2O4.vorbup' ,'unknown','formatted',0
> 200,'./NiFe2O4.storeHinvup', 'replace','unformatted',9000
> and uplapw1.error i have found nothing
>
> and uplapw2 i have found this :
> 2,'NiFe2O4.nshup', 'unknown','formatted',0
> 3,'NiFe2O4.in1', 'unknown','formatted',0
> 4,'NiFe2O4.inso', 'unknown','formatted',0
> 5,'NiFe2O4.in2', 'old', 'formatted',0
> 6,'NiFe2O4.output2up','unknown','formatted',0
> 7,'NiFe2O4.vorbup','unknown','formatted',0
> 8,'NiFe2O4.clmvalup','unknown','formatted',0
> 10,'./NiFe2O4.vectorup', 'unknown','unformatted',9000
> 11,'NiFe2O4.weightup', 'unknown','formatted',0
> 13,'NiFe2O4.recprlist', 'unknown','unformatted',9000
> 14,'NiFe2O4.kgen', 'unknown','formatted',0
> 15,'NiFe2O4.tmpup', 'unknown','unformatted',0
> 16,'NiFe2O4.qtlup', 'unknown','formatted',0
> 17,'NiFe2O4.weightaverup','unknown','formatted',0
> 18,'NiFe2O4.vspup', 'old', 'formatted',0
> 19,'NiFe2O4.vnsup', 'unknown','formatted',0
> 20,'NiFe2O4.struct', 'old', 'formatted',0
> 21,'NiFe2O4.scf2up', 'unknown','formatted',0
> 22,'NiFe2O4.rotlm', 'unknown', 'formatted',0
> 23,'NiFe2O4.radwfup', 'unknown', 'formatted',0
> 24,'NiFe2O4.almblmup', 'unknown', 'formatted',0
> 26,'NiFe2O4.weighup', 'unknown','unformatted',0
> 27,'NiFe2O4.weighdn', 'unknown','unformatted',0
> 29,'NiFe2O4.energydn','unknown','formatted',0
> 30,'NiFe2O4.energyup', 'unknown','formatted',0
> 32,'NiFe2O4.qdmftup', 'unknown', 'formatted',0
> 34,'NiFe2O4.oubwinup', 'unknown', 'formatted',0
> 231,'NiFe2O4.dmftsym', 'unknown', 'formatted',0
> and uplapw2.error i have found nothing inside
>
> Hope this can help me
> Thanks in advance for your response and looking forward your response.
> kind regards
> Mohamed Ouaissa
> ------------------------------
> *De :* Mohamed ouaissa <m.ouaissa at yahoo.fr>
>
> *À :* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Envoyé le :* Lundi 22 octobre 2012 17h52
>
> *Objet :* Re: [Wien] LAPW2 END
>
> Dear wien2k users,
> for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic
> when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END.
> Im using wien2k_11.
> Thanks in advance for your response
>
> ------------------------------
> *De :* Lyudmila Dobysheva <lyuka17 at mail.ru>
> *À :* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Envoyé le :* Lundi 22 octobre 2012 14h46
> *Objet :* Re: [Wien] LAPW2 END
>
> 21.10.2012 15:02, Mohamed ouaissa пишет:
> > when i start runsp_lapw it stops after LAPW2 as it shown below:
> > hup: Command not found.
> > LAPW0 END
> > LAPW1 END
> > LAPW1 END
> > LAPW2 END
> > who can tell me what i should do or where i did a mistake?
>
> Nobody can.
> There is no information in your letter.
>
> Best wishes
> Lyudmila Dobysheva
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--
*محمد ارشد فرحان*
Dept of Chemistry,
Pohang Univ of Sci & Tech
Pohang, Republic of Korea
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