[Wien] TiC calculation with dstart
Gavin Abo
gsabo at crimson.ua.edu
Thu Sep 11 08:54:59 CEST 2014
If you compiled with ifort using -traceback, there is usually a forrtl
error message like the one at:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10716.html
or an error message in the dstart.error file like the one at:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01227.html
Without additional information like that, there is not enough
information given to specifically say how the problem might be solved.
Only in general, it can most likely be solved by fixing your Wien2k
installation or fixing your initialization of the calculation, whichever
the case may be as the error might be caused by a problem with either one.
On 9/10/2014 11:38 PM, Naoto Takanashi wrote:
> Dear WIEN2k users:
>
> I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04 on VirtualBox.
> I tried the TiC calculation, but it doesn't work.
> When I click the "x dstart" on the page of "initialize calculation" with w2web,
> this is displayed.
>
> xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
> error: command /home/**/WIEN2k/dstart dstart.def failed
> xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
>
> Then I open "view TiC.outputd and cp TiC.in0_std TiC.in0",
> and there is
> xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
> System Error
> Can't read file //home/**/WIEN2k/TiC/TiC.outputd
> xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
>
> I could not solve this problem by myself. Please help me!
>
> Regards
> Naoto Takanashi
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