[Wien] [*] Re: clmextrapol_lapw error

[Peter Blaha]

It is possible that the problem is due to your outdated version.

In any case, when you see such an error:

Do you have   new_super.clmsum  in your directory ?

It should have been created by    init_lapw
You can create it by              x dstart -super


Am 21.09.2010 13:16, schrieb puday at iitk.ac.in:
> Dear Prof. Blaha,
> I should give you the full description of the error.I am doing the
> simplest example of 2D volume optimization as given in the "package
> 2Doptimization".
> So there is no chance of doing mistake.Now the problem is the error is
> showing two input files are missing.Please see the error bellow.
> ----------------------------------------------------------------------------
> [uday at master Mg]$ 2Doptimize.job
> FORTRAN STOP DSTART ENDS
> 1.681u 0.007s 0:01.77 94.9%     0+0k 0+0io 13pf+0w
> *******************************
> 2D_V-10.0_COA_-4.0
> *******************************
> FORTRAN STOP DSTART ENDS
> 1.584u 0.002s 0:01.58 100.0%    0+0k 0+0io 0pf+0w
>
> Input/Output Error 153: Input file ended
>
>     In Procedure: main program
>          At Line: 250
>
>        Statement: Formatted READ
>             Unit: 14
>     Connected To: new_super.clmsum
>             Form: Formatted
>           Access: Sequential
> Records Read   : 1891
> Records Written: 0
>
> End of diagnostics
>
> 0.009u 0.006s 0:00.03 0.0%      0+0k 0+0io 8pf+0w
> error: command   /home1/puday/WIEN2K83/clmaddsub clmaddsub.def   failed
> clmextrapol_lapw has generated a new Mg.clmsum
>
>
> Input/Output Error 153: Input file ended
>
>     In Procedure: main program
>          At Line: 595
>
>        Statement: Formatted READ
>             Unit: 8
>     Connected To: Mg.clmsum
>             Form: Formatted
>           Access: Sequential
> Records Read   : 1891
> Records Written: 0
>
> End of diagnostics
>
>
>     stop error
>
> ----------------------------------------------------------------------------
>
> So will this problem fix if we install newer version of WIEN2K?
>
> Regards,
> Uday
> Dapartment of Physics
> IIT, Kanpur
>
>
>
>> a) You should always use the most recent WIEN2k version. WIEN2k_8.3 is
>> outdated,
>>      in particular when you encounter an error.
>>
>> b) With the description:
>>      error: command   /home/WIEN2K83/clmaddsub clmaddsub.def   failed
>>      nobody can help you. There are so many reasons why this could happen,
>>      most of them because you have made an error before ....
>>
>>
>> Am 21.09.2010 09:09, schrieb puday at iitk.ac.in:
>>> Dear Prof. Blaha and WIEN2K users,
>>> I am using WIEN2K83 with operating system Linux.I am doing 2D volume
>>> optimization for the case of "Mg" as given example in "package
>>> 2Doptimization"
>>>
>>> While running  clmextrapol_lapw this kind of error is giving
>>>
>>> error: command   /home/WIEN2K83/clmaddsub clmaddsub.def   failed
>>> clmextrapol_lapw has generated a new Mg.clmsum
>>>
>>>
>>> What should I do now? Please help me.
>>>
>>> Regards,
>>> Uday
>>> Dapartment of Physics
>>> IIT, Kanpur
>>> _______________________________________________
>>> 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
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
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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/
--------------------------------------------------------------------------