[Wien] installing two versions of wi2n2k together

[Gavin Abo]

 From your questions, it sounds like you are just getting started.  So 
it will likely be better for you to only install one version of WIEN2k 
on your computer.

I think even Linux/WIEN2k guru avoid having multiple WIEN2k versions on 
a computer.  That is because you have to be careful not to mix 
incompatible files between the different WIEN2k versions [1] and you 
have to frequently edit and keep track of WIENROOT in .bashrc or use 
full paths and keep track of the ones being used for each program.  I 
have seen a more elegant way of doing that on some clusters with module 
[2], but that is most likely something usually setup by an Information 
Technology (IT) professional.

In one aspect, WIEN2k 11 was better than WIEN2k 12, because 12 had a 
serious bug were the fftpack was broken [3].  However, WIEN2k 11 
contained some other significant bugs (like the blocksize bug [4]) that 
were fixed in WIEN2k 12.  The bugs of those versions have been fixed and 
further improvements have been made as shown on the WIEN2k updates 
webpage [5], so it is very beneficial to install and use the latest 
WIEN2k version (currently, 16.1 [6]). Maintaining the old versions 
yourself can be problematic as I mentioned before [7].

[1] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12553.html
[2] https://wiki.metacentrum.cz/wiki/WIEN2k_application
[3] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09282.html
[4] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10488.html
[5] http://susi.theochem.tuwien.ac.at/reg_user/updates/
[6] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15266.html
[7] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11071.html

On 1/8/2017 7:19 AM, Sahra Sahraii wrote:
> Dear Wien2k users
> I have alraedy installed the wien2k 11 on my computer, As I want to 
> have two versions of wien2k together I am trying to install wien2k12 too.
> I have installed wien12 but I can't do any calculation with it.
>
> I don't know what is the problem?
> Could you please help me to solve my problem?
>  Best
> sahraii
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