[Wien] Job distribution problem in MPI+k point parallelization

lung Fermin ferminlung at gmail.com
Tue Jan 27 16:41:28 CET 2015


Dear Wien2k community,

Recently, I am trying to set up a calculation of a system with ~40 atoms
using MPI+k point parallelization. Suppose in one single node, I want to
calculate 2 k points, with each k point using 2 processors to run mpi
parallel. The .machines file I used was
#
1:node1 node1
1:node1 node1
granularity:1
extrafine:1
#

When I ssh into node1, I saw that there were 8 lapw1_mpi running, each with
CPU usage of 50%. Is this natural or have I done something wrong? What I
expect was having 4 lapw1_mpi running each with CPU usage of 100% instead.
I am a newbei to mpi parallelization. Please point me out if I have
misunderstand anything.

Thanks in advance,
Fermin
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