Dear quantum espresso friends, I’m a bit confused. I want to run a geometry optimisation with pw.x in parallel on 4 CPUs. I want to do k-point parallelization. From http://training.uhem.itu.edu.tr/docs/18hazirannano/PW-III-para.pdf:
k-points are distributed among npool pools of CPUs I started the following: mpirun -np 4 pw.x -npool 4 -inp input file It seems to work, since I got output. But what is confusing me, is that in the output is stated: ``Serial version`` ``number of k points= 4`` Nothing is noted that the calculations of 4 k-point is distributed among 4 CPUs. Can someone give me an advice on where to look for confirmation? Met vriendelijke groeten, Mit freundlichen Grüßen, With kind regards, Willem Offermans Researcher Electrocatalysis SCT VITO NV | Boeretang 200 | 2400 Mol Phone:+32(0)14335263 Mobile:+32(0)492182073 [email protected]
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