[Wien] k-point parallel problem

[Peter Blaha]

First: please use a number of processors which is compatible with the
number of k-points you have (check case.klist). What I mean is: I suppose
you have 18 k-points, so reasonable machine-numbers are 18 (each processor
does 1 k-point), 9 (each does 2), 6, 3 or 2.
Of course you can use 16, but the program will be not faster (in fact even 
slower since summation takes longer) than with 9 processors.

Second: Your message is not quite clear: it failed when run the lapw1para...
        There is no problem when run lapw1 in parral.   ???

Third: In your script please change (sorry, it was incorrect on the faq page
       but it should not be responsible for the problems) 
echo 'extrafine' >>.machines         to
echo 'extrafine:1' >>.machines
                       
Fourth: Could be a timelimit the cause for these problems ? Increase the
cpu-time-limit of the pbs job. 
In addition your pbs job should produce output and error files and they may 
contain further information.



                                      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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