[Wien] error, end-of-file during read
Laurence Marks
L-marks at northwestern.edu
Mon Feb 18 14:02:05 CET 2013
Did you first run with standard PBE, then change case.in_vresp and finally
case.in0?
You should carefully follow the instructions for running mBJ, it is easy to
make a mistake in the sequence. I suspect this is what has happened, not
any problems with compilation/glib etc.
---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Feb 18, 2013 6:47 AM, "mouhamed mahdi" <mouh2009 at gmail.com> wrote:
> Dear Wien2k users,
>
> I am running wien version 12 on a machine of type optiplex GX 520 with operating system ubuntu, ifor compiler aaa and math
> libraries mkl
> I am running this case (ZnS.struct)
> Title
> F LATTICE,NONEQUIV.ATOMS: 2216_F-43m
>
>
> MODE OF CALC=RELA unit=ang
> 10.339263 10.339263 10.339263 90.000000 90.000000 90.000000
> ATOM 1: X=0.25000000 Y=0.25000000 Z=0.25000000
> MULT= 1 ISPLIT= 2
>
>
> Zn NPT= 781 R0=0.00005000 RMT= 2.4000 Z: 30.0
> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
> 0.0000000 1.0000000 0.0000000
> 0.0000000 0.0000000 1.0000000
>
>
> ATOM 2: X=0.00000000 Y=0.00000000 Z=0.00000000
> MULT= 1 ISPLIT= 2
> S NPT= 781 R0=0.00010000 RMT= 1.9600 Z: 16.0
> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>
>
> 0.0000000 1.0000000 0.0000000
> 0.0000000 0.0000000 1.0000000
> 24 NUMBER OF SYMMETRY OPERATIONS
>
>
> using this input (case.in0 using R2V with potential 28 for gap calculation )
>
>
> i have already tried to update glib and upgrade system but stilll the same error
>
> > stop error
>
> libc.so.6 40AF94D3 Unknown Unknown Unknown
> lapw0 0804A371 Unknown Unknown Unknown
> lapw0 080812F1 MAIN__ 765 lapw0.F
> lapw0 080E8C17 Unknown Unknown Unknown
> lapw0 080D6D5B Unknown Unknown Unknown
> lapw0 080D73D7 Unknown Unknown Unknown
> lapw0 08104D3F Unknown Unknown Unknown
> lapw0 081450C5 Unknown Unknown Unknown
> lapw0 081462CD Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (24): end-of-file during read, unit 28, file /home/lpat/WIEN2k/zns-g/zns-g.vrespsum
> LAPW0 END
> hup: Command not found.
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130218/b31b9c31/attachment.htm>
More information about the Wien
mailing list