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!
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
