[Wien] wien2kon mac

[Gavin Abo]

Yes, it has been done by others.

It needs to have been formatted with the case-sensitive filesystem [1,2].

I don't have a Mac, so cannot say how it is installed.  I also expect 
there is more than one way to do so.

For example, it likely could be installed using a Linux VM but I 
wouldn't recommend doing that [ 
https://www.engadget.com/2009/09/07/how-to-set-up-ubuntu-linux-on-a-mac-its-easy-and-free/ 
].

If you install WIEN2k directly with the gfortran compiler [5], the 
install might not be that much different than on Linux [6].

If you install the macOS version of the Fortran (ifort) compiler [7], 
that also might not be that much different than on Linux [8-10].

Though, personal laptops and desktop computers tend to be limited to 
unit cells or small supercells (less than about 60 atoms) [11-13].  The 
organizational high performance computing clusters (HPC) at 
universities, computing centers, and commercial companies that WIEN2k 
researchers are using are likely running with Linux operating systems 
similar to the world's fastest 500 supercomputers (in November of 2017) 
[14], where researchers are probably connecting to them with Mac or 
Windows systems.  Or perhaps remotely logging in with an App such as on 
an Android phone with something like JuiceSSH [15].

[1] http://susi.theochem.tuwien.ac.at/reg_user/limitations/
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07421.html
[3] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07422.html
[4] 
https://apple.stackexchange.com/questions/71357/how-to-check-if-my-hd-is-case-sensitive-or-not
[5] https://gcc.gnu.org/wiki/GFortranBinaries#MacOS
[6] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18098.html
[7] https://software.intel.com/en-us/fortran-compilers/try-buy
[8] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17454.html
[9] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05586.html
[10] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17982.html
[11] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17218.html
[12] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17911.html
[13] 
http://susi.theochem.tuwien.ac.at/onlineworkshop/PB-installation.pdf 
(slide 2)
[14] https://en.wikipedia.org/wiki/Supercomputer
[15] https://juicessh.com/


On 11/23/2018 11:21 PM, reza behnam wrote:
> Dear Users,
>
> Could anyone let me know if we can instal Wien2k on Mac?
>
> Thanks,
> Reza