[Wien] About the machines file for mpi

[Peter Blaha]

Please have a look at page 61 in the UG. 

The lapw0 line must be a single line like

lapw0:comp124 comp123 comp80 ...

For lapw1 AND lapw2 again for each k-point you must use a single line only 
like:

1:comp124 comp123 comp80 ...



>       I want to run wien2k in parallel using mpi method. But I dont know how to creat the .machines file. This is part of our script file for pbs submitting.
> ...........
> this is the created .machines file by this script.
> 
> lapw0:comp124
> comp123
> comp80
> comp120
> comp69
> comp127
> lapw1:comp124
> comp123
> comp80
> comp120
> comp69
> comp127
> lapw2:comp124
> comp123
> comp80
> comp120
> comp69
> comp127
> 
> Does it correct? Could you give me some sugest?
> 
> Best Wish to You!
> 
> Yonghua
> 
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> Wien at zeus.theochem.tuwien.ac.at
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> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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