[Wien] Parallel execution of SCF cycle

[Laurence Marks]

>
> In addition to what Peter said in his last post, does your
> parallel_options now have (as he said in an earlier post):


> setenv WIEN_MPIRUN "mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_"


> Or, did you define this somewhere else in your installation such as
> .bashrc (using export)?


>
> --------------------------------------------------------------------------

Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna

Phone: +43-1-58801-165300

Email: peter.blaha at tuwien.ac.at WIEN2k: http://www.wien2k.at

WWW: http://www.imc.tuwien.ac.at

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