[Wien] about parallel calculation,

[Peter Blaha]

a) it should be a file   .machines  (not .machine)
b) Use the real name of your computer, not "localhost"
c) What did you select during "siteconfig":   ssh or   rsh or shared 
memory machine?
For shared memory nothing else is necessary, however, then you can just 
use this 2-rpocessor machine, but not any other additional PC.

For ssh (or rsh) you must be able to login WITHOUT a password. Ask you IT 
staff how to create the necessary keys.
Check it, you must be able to     ssh localhost      without a password.
(use the proper hostname, not localhost)



> the IT assot told me that he had set well for the parallel calcualtion. the
> following is what I did:
> 
> I edit the .machine file as follows:
> ................................
> 1:localhost
> 1:localhost
> granularity:1
> extrafine
> ......................
> and before run SCF, I flag the "parallel"
> and start my SCF, but, I failed.
> 
> please help me pointing out what wrong that I have done. noting My machine
> have two CPUs.
> 
> yushan
> 
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> Wien mailing list
> 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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