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

[Peter Blaha]

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
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
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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/
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