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://www.democritos.it/pipermail/pw_forum/attachments/20100404/6d587d56/attachment.htm
