[QE-users] Problem launching NEB calculation on the server

[imane BEZZAOUI]

Dear Quantum ESPRESSO users and developers,

I’m having problems running my NEB calculation on the server.
When I launch neb.x, it doesn’t start properly: the output is empty, and
the job stops immediately without showing an error message.

Before, I used to run my calculations with 12 cores and everything worked
perfectly.
Now it doesn't work ( output empty).

For example, when I launched neb.x on my computer with 10 cores, it didn’t
start. However, when I reduced it to 8 cores, the calculation ran
successfully without any errors.

Here’s the command I used:

mpirun -np N neb.x -i neb.in > neb.out


Could you please tell me how to choose the correct number of cores (N) when
launching neb.x on the server?

Thank you for your help!

Best,
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