[Wien] plz help

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Feb 14 13:17:58 CET 2012


cat uplapw2.def

Is there a $SCRATCH defined ?

ls -alsrt *vec*        are the vector files: new, non-zero,... ?

Am 14.02.2012 12:53, schrieb arqum hashmi:
> Dear Users
> i am calculating the AFM Fe2O3. i run spin polarized and parallel
> calculation. after Scf caclulation.
> when i calculate DOS, click on *x lapw2 -p -up -qtl
> *
> *i t gives this error*
>
> running LAPW2 in parallel mode
> calculating QTL's from parallel vectors
> mv: cannot stat `super-sp.vectorup_1': No such file or directory
> mv: cannot stat `super-sp.vectorup_2': No such file or directory
> L2main - Error
> 0.436u 0.048s 0:00.54 87.0%	0+0k 0+1864io 0pf+0w
>
> what is this error although these two files are present there.when i
> see error file /home/hashumi/WIEN2k/Fe2O3-sp/super-sp/uplapw2.error
>   it gives this
>
> Error in LAPW2
>   'l2main' - error reading parallel vectors
>
>
> Please guide me why this error occured and how can i solve it.
>
> i will be very grateful to you.
>
> Thanks and Regards
> Arqum Hashmi
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671


More information about the Wien mailing list