[Wien] A problem in a parallel execution of WIEN2k_8.1

[Peter Blaha]

I haven't used this syntax for a long time (although it is supposed to work and
a "correct" .machines file). Please test and change .machines to:

1:xps01 xps01 xps02 xps02
....

Furthermore do the -xf test. The message about "remotemachine" is clearly
from the lapw2para csh-script and has nothing to do with compilation.

oyama schrieb:
> Dear Peter,
> 
> I am running both k-point and mpi-parallel.
> .machine file is below
> --
> 1:xps01:2 xps02:2
> 1:xps03:2 xps04:2
> 1:xps05:2 xps06:2
> 1:xps07:2 xps08:2
> granularity:1
> --
> I did not set "shared-memory machine" during siteconfig_lapw.
> This is a cause of the incorrect compilation?
> 
> Thanks
> 
> Takashi
> 
> 
> 
> 
> 
> Peter Blaha wrote:
>> We need much more info.
>>
>> Are you running "k-point parallel", or "mpi-parallel" or both together ?
>> List your .machines file .
>> Did you set "shared-memory machine" during siteconfig ?
>>
>> Change the first line in lapw2para_lapw and add a  -xf (instead of -f) switch.
>> This gives you lots of debugging info.
>>
>> oyama schrieb:
>>> Dear all:
>>>
>>> I have a problem in a parallel execution of lapw2. It looks like lapw0
>>> and lapw1 were completed in parallel environment without any problem,
>>> but when it proceeds to lapw2, it aborts with an error message:
>>> --
>>> LAPW2 - FERMI; weighs written
>>> remotemachine: Undefined variable.
>>> remotemachine: Undefined variable.
>>> remotemachine: Undefined variable.
>>> remotemachine: Undefined variable.
>>> cp: cannot stat `.in.tmp': No such file or directory
>>> rm: cannot remove `.in.tmp': No such file or directory
>>> rm: cannot remove `.in.tmp1': No such file or directory
>>> --
>>>
>>> I believe hardware and mpich are properly configured and in fact other
>>> program run in parallel mode without any problem. So, I suppose the
>>> problem is originated from failure of my compilation of wien2k or
>>> setting parallel environment specific to wien2k.
>>>
>>> Any suggestion or comment is appreciated. Of course, a comment to
>>> point what I need to examine further is also really appreciated.
>>>
>>> Thank you in advance.
>>>
>>> Yours sincerely,
>>>
>>> Takashi
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> --
>>
>>                                        P.Blaha
>> --------------------------------------------------------------------------
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
>> --------------------------------------------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
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> 

-- 

                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------