[QE-users] parallel parameter in qe
Marin
1158405202 at qq.com
Mon Sep 9 18:46:32 CEST 2024
Dear all,
I'm currently trying to calculate the 'scf' of a supercell with 100 atom using the k-points of 2*2*1.
My CPU is single node, 36 cores with a dual channel configuration, and the memory capacity is sufficiently ample.
How should I set the parallel parameters for submitting tasks to save time as much as possible?
Thanks for your help!
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