[Wien] Regarding the wien2k scf calculation initialization.

Peter Blaha peter.blaha at tuwien.ac.at
Tue May 16 16:19:31 CEST 2023


Well, it means what it says: It cannot find the program  dstart.

Most likely, during compilation with siteconfig an error occured for 
dstart (and others ?), but you neglected the error messages.

My guess is that it has to do with the fftw library. Is it installed ?

Check the messages in SRC_dstart/compile.msg



Am 16.05.2023 um 14:55 schrieb chethanv Research Scholar:
> I am running wien version 23.2 on a AMD Ryzen9 machine with gcc fortran 
> compilers.
>   I get the following error
> 
> error: command   /home/admin123/WIEN2k_23/dstartpara dstart.def   failed
> 0.025u 0.002s 0:00.26 7.6%	0+0k 0+32io 0pf+0w
> dstart: Command not found.
> 
> 
> 
> with best regards
> Chethan V.
> Junior Research Fellow
> University of Mysore
> Ph. No. 8050435657
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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