[Wien] Run Wien2k on Mac OS X Lion

[Gilles Hug]

Dear Marcelo,
I have Wien2k running on the Mac although I don't use it very often.
I have not installed Lion.
You should first check that the disk is formatted with case sensitive (Unix-like) option.
Then try the Wien2k programs and scripts from the Terminal.
One problem maybe to find the runtime libraries which are located in a different place compared to other Linux styles, i. e. you need to check that the environment variables in the .bashrc are correct. This changes from versions of OSX and Intel.
Bon courage,
Gllles

Le 4 avr. 2012 à 06:58, Peter Blaha a écrit :

> I've no experience with Macs myself, but I know that some Mac-experts have wien2k running on Macs.
> 
> When you say, the scripts are not working, you may not have a   csh (or tcsh).
> 
> 
> Am 03.04.2012 13:10, schrieb Marcelo Barbosa:
>> Hello
>> 
>> I'm currently using Wien2k on an Ubuntu machine and it's working fine, but i would like to run it on Mac OS X 10.7 Lion.
>> Is there anyone who could help me to compile and run Wien2k on a Mac OS X machine?
>> 
>> I have installed the Intel compilers for mac and the compilation runs without any errors.
>> I run w2web on terminal and it starts a session with no problem, but then on the browser i'm only able to create the .struct file, none of the scripts are working (including the RMT calculation when creating the .struct file).
>> 
>> Can anyone help me?
>> 
>> Best regards,
>> Marcelo Barbosa
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>> Wien at zeus.theochem.tuwien.ac.at
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> 
> -- 
> -----------------------------------------
> Peter Blaha
> Inst. Materials Chemistry, TU Vienna
> Getreidemarkt 9, A-1060 Vienna, Austria
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> email: pblaha at theochem.tuwien.ac.at
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