[Pw_forum] unneeded pseudopotentials?
permeakra at gmail.com
Mon Jan 25 16:29:58 CET 2016
I need to perform a series of computations, varing the central atom of my
system. I want to go through 6 different metals. Since I generate input
files automatically, it is tempting to include pseudopotentials for all
metals into input file.
So, I need to know: Is there a performance and/or memory requirement
penalty for inclusion of unneeded pseudopotentials in a job file for pwscf
? How bad it is? How it scales with increase of number of processes ?
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