[QE-users] BURAI cannot mpirun pw.x
Luc Fruchter
luc.fruchter at universite-paris-saclay.fr
Tue Jan 11 18:22:48 CET 2022
I have installed BURAI 1.3.2, and tried to run it using openmpi, as well
as intel mpi (in that case, I used re-compiled QE .x files).
The interface works well, and I am able to create the espresso.in
<http://espresso.in>job files without problem (I use Ubuntu 10.8).
However, I cannot run them: it seems that the program tries to run
mpirun without the appropriate path to the espresso.in
<http://espresso.in>file. The error reads "command: /usr/bin/mpirun -np
10" without a target) .
When I run from the terminal pw.x, being in the Burai case directory
(using the path registered in Burai, like '/usr/bin/mpirun -np 10
/home/user/BURAI1.3.2/exec.LINUX/qe_openmpi/pw.x -in espresso.in')
<http://espresso.in>pw.x runs fine, so mpirun or Qespresso are not the
problem. Thanks for any help on this.
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