[QE-users] [SPAM] parallel parameter in qe

[Daniel Rothchild]

Have you checked out the documentation on parallelism? There are some
pointers there on how to set parallelization flags:
https://www.quantum-espresso.org/Doc/user_guide/node17.html. If you're
still not sure after reading that, you might try asking a more specific
question, including what you've already tried, and also including
information about what kind of system you're running on (HPC, on-prem,
cloud), how many nodes you have, how many physical cores per node, etc.

Daniel Rothchild

On Wed, May 29, 2024 at 7:08 AM Marin via users <
users at lists.quantum-espresso.org> wrote:

> Dear all,
> I'm currently trying to calculate the 'scf' of a supercell with 100 atom
> using the k-points of 2*2*1.
> 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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