[Pw_forum] Predicting the cpu time usage for bigger system withour doing the simulation

Dimpy Sharma dimpy.sharma at tyndall.ie
Tue Jul 20 15:41:15 CEST 2010


Hi Quantum espresso users.
I would like to predict an approximate CPU time usage to finish one scf calculation in quantum espresso for a system with 5 supercells. I have the CPU time usage for the same sytem with one supercell.So are there  any possible ways to predict the time needed for more number of supercell (for the same system) required in quantum espresso,without doing the simulations.Can I calcuate it from the following method 
Tscf= NiterTiter + Tinit
 
Thanks and Regards.
 
Dimpy
Dimpy Sharma
ETG-Group
Tyndall National Institute
Cork
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