[Pw_forum] Plane waves parallelization
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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