[QE-users] problem with parallelization
Artur Durajski
artur.durajski at pcz.pl
Mon Feb 5 23:50:28 CET 2024
Dear All,
after updating my system to Ubuntu 22.04 I have a problem with parallelization calculations. In particular when I put, for example, command: mpirun -np 4 pw.x -i input.in > output.out
all my cores (20 cores) are involved in the calculations.
Is anyone faced with that problem? How to configure openmpi/QE to use only cores that I declared before pw.x command.
I use OpenMPI installed in the following way: sudo apt-get install openmpi-bin libopenmpi-dev and QE-6.7 (./configure and make all).
Thank you in advance for your help.
Best Regards
Artur
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Czestochowa University of Technology
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