[Pw_forum] Plane waves parallelization

[Dimpy Sharma]

Hi Quantum espresso users,

I was trying to run a scf calculation for my system (518 atoms), I used 100 nodes to simulate the system however it crashed after 3 iterations without any error message (consumed 883MB).I used K_Points 2x1x1.

 From the user guide , I was reading the parallelism in quantum espresso,I could not follow "pools" and plane wave parallelization, and how to do the K_Point sampling in mpi parallelization for my system.

Thanks and regards!

Dimpy
Msc(Nanotechnology)
PhD
UCC,Ireland
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100404/6d587d56/attachment.html>