[Wien] problem in making case.vectorup_1

[Peter Blaha]

Can you do:

ssh localhost     and get logged in without password ??

Am 29.02.2012 16:02, schrieb Samaneh J:
> Thank you for the answer,
>   for sure I made the machine file according to the UG.
> this is my .machines
> granularity:1
> 1:localhost
> 1:localhost
> 1:localhost
> 1:localhost
>
> then, as I mentioned testpara_lapw worked properly
> still you think it is the problem of machine files?
> if yes I would real the userguide again and thanks for
> your attention.
>
>
> On Wed, Feb 29, 2012 at 3:17 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>> wrote:
>
>     Did you make a ".machines" file ?
>
>     Please read the UG.
>
>     Am 29.02.2012 14:13, schrieb Saba k:
>
>
>         Dear all,
>           I use Wien2k 10.0,
>
>                   Mkl 10.2.5.035
>
>                   Ifort 11.1
>
>         on OS suse11.3, cpu : Intel quad 64 bit, I don't use mpi
>
>         I study a fcc bulk,
>
>         It is a complex system and also spin polarized then I have lapw1c up
>
>         and lapw1c dn
>
>         I use the command " runsp_lapw -it -in1new 3 -cc 0.00001 -p"
>
>         I compiled my Wien2k and I can run the case without parallel great
>
>         but the problem happens when I have parallel run
>
>         it crashes at lapw2 because it can not find case.energyup_1
>
>         I checked to see what is going
>
>         I checked before the run testpara_lapw :   ok
>
>         then
>
>         I saw it makes following files
>
>
>         case.klist_1dnlapw1_1.__defuplapw1_1.def
>
>         case.klist_2dnlapw1_2.__defuplapw1_2.def
>
>         case.klist_3dnlapw1_3.__defuplapw1_3.def
>
>         case.klist_4dnlapw1_4.__defuplapw1_4.def
>
>         but instead of making
>
>         case.vectorup_1, case.vectorup_2, case.vectorup_3, case.vectorup_4; the same  for dn
>
>         it only makes case.vectorup & case.vectordn, later only case.energyup & case.energydn
>
>         then, at the moment of lapw2 it looks for case.energyup_1 and it can not find it , so it crashes
>
>         As vector files are scratch files, what do you think about my problem and how I can solve it?
>
>         Thanks in advance
>
>
>         Saba Khosh
>
>         ps as I do not have a memory shared then during compile I said this option no
>
>
>
>
>
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>
>     --
>
>                                           P.Blaha
>     ------------------------------__------------------------------__--------------
>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>     Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300>             FAX: +43-1-58801-165982 <tel:%2B43-1-58801-165982>
>     Email: blaha at theochem.tuwien.ac.at <mailto:blaha at theochem.tuwien.ac.at>    WWW: http://info.tuwien.ac.at/__theochem/ <http://info.tuwien.ac.at/theochem/>
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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