[Wien] [*] Re: clmextrapol_lapw error

[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 outdated,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/
> --------------------------------------------------------------------------
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