[Wien] problem in making case.vectorup_1

[Samaneh J]

yes, according to what you had recommended at the end of .userconfig_lapw
I had set ssh problem already.


On Wed, Feb 29, 2012 at 5:16 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> 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<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
>>
>>
>>
>>
>>
>>        ______________________________**___________________
>>        Wien mailing list
>>        Wien at zeus.theochem.tuwien.ac._**_at <mailto:Wien at zeus.theochem.**
>> tuwien.ac.at <Wien at zeus.theochem.tuwien.ac.at>>
>>        http://zeus.theochem.tuwien.__**ac.at/mailman/listinfo/wien<http://ac.at/mailman/listinfo/wien><
>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>> >
>>
>>
>>    --
>>
>>                                          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 <blaha at theochem.tuwien.ac.at>>    WWW: http://info.tuwien.ac.at/__*
>> *theochem/ <http://info.tuwien.ac.at/__theochem/> <
>> http://info.tuwien.ac.at/**theochem/ <http://info.tuwien.ac.at/theochem/>
>> >
>>    ------------------------------**__----------------------------**
>> --__--------------
>>    ______________________________**___________________
>>    Wien mailing list
>>    Wien at zeus.theochem.tuwien.ac._**_at <mailto:Wien at zeus.theochem.**
>> tuwien.ac.at <Wien at zeus.theochem.tuwien.ac.at>>
>>    http://zeus.theochem.tuwien.__**ac.at/mailman/listinfo/wien<http://ac.at/mailman/listinfo/wien><
>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>> >
>>
>>
>>
>>
>>
>> ______________________________**_________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at>
>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>>
>
> --
>
>                                      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/ <http://info.tuwien.ac.at/theochem/>
> ------------------------------**------------------------------**
> --------------
> ______________________________**_________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.**at <Wien at zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120229/9c476536/attachment.htm>