[Wien] [Wien2k Users] QTL Error in DOS calculations

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Apr 13 07:51:25 CEST 2010


No you don't have "the same error".

His error says:
 >     qtl                0000000000418409  MAIN__  607 >     qtlmain.f

Which means the line number in subroutine qtlmain.
 From this I can see that he probably made a stupid input input error, 
because the code comes to this line only for option 88/99, not for 
normal operation.

-----------------------------------------------
Your error says:
forrtl: severe (24): end-of-file during read, unit 60, file 
/home/WIEN2k/case1/Mn.cf10
qtl                0805F522  MAIN__                    400  qtlmain.f

Checking the latest release, I can see that at line 400 NOTHING is read.
So you are using an old version, maybe together with some incompatible 
input,....
One does not need a case.cf10 file anymore unless you are a "specialist".





Am 13.04.2010 03:40, schrieb crazy Li:
> I have the same error information!
> appreciate any suggestin!
> Thanks a lot!
>
> 2010/3/19 Ghosh SUDDHASATTWA <ssghosh at igcar.gov.in
> <mailto:ssghosh at igcar.gov.in>>
>
>     Dear Wien2k Users,
>
>     The following error came while calculating DOS for our case
>
>     forrtl: severe (24): end-of-file during read, unit 1001, file
>     /group5/cg/sghosh/WIEN2k/lapw/Hexagonal_Zirconium/Hexagonal_Zirconium.qtlatom_1
>
>     Image              PC                Routine            Line
>     Source
>
>     qtl                0000000000512AFE  Unknown               Unknown
>     Unknown
>
>     qtl                0000000000511A90  Unknown               Unknown
>     Unknown
>
>     qtl                00000000004CCBFE  Unknown               Unknown
>     Unknown
>
>     qtl                0000000000495817  Unknown               Unknown
>     Unknown
>
>     qtl                00000000004950F4  Unknown               Unknown
>     Unknown
>
>     qtl                00000000004AEC20  Unknown               Unknown
>     Unknown
>
>     qtl                0000000000418409  MAIN__                    607
>     qtlmain.f
>
>     qtl                0000000000404DC2  Unknown               Unknown
>     Unknown
>
>     libc.so.6          00000039FBC1D8A4  Unknown               Unknown
>     Unknown
>
>     qtl                0000000000404CE9  Unknown               Unknown
>     Unknown
>
>     4.430u 1.981s 0:09.98 64.2%   0+0k 0+0io 14pf+0w
>
>     error: command   /appl/wien/qtl qtl.def   failed
>
>     We need some help
>
>     Suddhasattwa
>
>
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria


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