[Wien] How to install wien2k in two processors

[Jorissen Kevin]

You should use the parallel icon whenever you want to use more than one cpu.
 
Ask your IT associate what exactly he has done :
 
* enable k-point parallellization : then you provide a .machines file
1:yourmachine
1:yourmachine
 
* provide you with a MPI compilation of wien : then you provide a .machines file
1:yourmachine:2
 
 
It's probably the first option, though, as I think it was previously explained on the mailing list that one dual processor machine isn't enough to make the MPI-version advantageous.
 
 
However, if you are a new user, I suggest you first try a few of the test cases and get familiar with the sequential version of wien.
 
 
good luck,
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Yushan Wang
Verzonden: za 26-2-2005 0:20
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] How to install wien2k in two processors



hi dear users,
My computer has two CPUs, and the IT associate told me that he had
installed the wien2k to use these two CPU. my questin: when I use w2web to
start my calculation, should I need to edit the .machine file? and should
I flag the parallel icon?
thanks

yushan

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