[QE-users] Problems to run QE in parallel

Anibal Bezerra anibal.bezerra at unifal-mg.edu.br
Tue Jul 10 20:02:20 CEST 2018


Dear all,

I'm new on Quantum Espresso and I'm in trouble with configuring it to run
in parallel. I've installed the mpich MPI and added the bin path to bashrc
file. I've tested the MPI and it's working fine. However, after
successfully configuring QE, detecting parallel environment, I've tried to
run an example using mpiexec command (mpiexec -n 10...), and I got

Parallel version(MPI), running on    1 processors
MPI processes distributed on     1 nodes.

Replicated 10 times on the out file.

I've tried Intel's MPI, the same occurred. I've tried explicitly give the
MPI's path to the configure without success.

I really don't know how to proceed.

Thanks in advance!
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