[Pw_forum] Plane waves parallelization

Dimpy Sharma dimpy.sharma at tyndall.ie
Sun Apr 4 15:18:23 CEST 2010

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!

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