[Wien] error on SCF calculation

Pavel Ondracka pavel.ondracka at email.cz
Wed May 20 14:58:52 CEST 2015


Dear Rachida,

the "hup: Command not found." line is harmless, however the "lapw1c:
Command not found" is not.
It looks like the lapw1c doesn't exist. It is possible it wasn't
compiled properly (especially since there are multiple known problems
when compiling Wien2k 13 with gfortran). Check if the lapw1c binary
exists and if not then check your compile log for errors (file
compile.msg in SRC_lapw1 subfolder).
Also Wien2k 14.2 is the recommended version with many compilation fixes,
so please upgrade to the latest version.

Best regards
Pavel


On Wed, 2015-05-20 at 13:18 +0100, rachida lamouri wrote:
> hello, 
>  I am running wien2k_13 with gfortran compiler.
> when i try to run SCF calculation for ZnS, i get this error msg :
>  
> hup: Command not found.
> STOP  LAPW0 END
> /home/rachida/wien2k/lapw1c: Command not found.
> 
> >   stop error
> 
> If you could help me I would be very honorable.
> Pending a favorable response, please accept my respectful greetings.
> best regards.
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