[Wien] problem in making case.vectorup_1

[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>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             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
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