[ase-users] GPAW Parallelization

[Zahra Hooshmand]

Dear all,


I am trying to run GPAW in parallel mode. However, when I am using the command:

mpirun -np 4 gpaw-python input.py

it only uses 1 core (instead of 64 cores). I am using the latest version of ASE.

Any suggestions how can I make this work?


Thanks,

Zahra


Zahra Hooshmand
PhD Candidate, Physics Department
University of Central Florida
Orlando, FL 32816-2385, USA
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