[QE-users] cp.x parallel run

[Zahra Nourbakhsh]

Dear all,

I would like to do molecular-dynamics calculations using cp.x command, but
I have faced with a strange issue. I found that in cp.x calculations, the
number of requested cores has to be equal to the number of system molecules!

For example, if I have 32 (or 64) H2O molecules, I have to run cp.x with
"-n 32 (or -n 64)". But for other qe commands, such as pw.x, I can do
parallel calculations on as many nodes/cores as I want/need.

I would like to know that is this a usual feature of cp calculations? If
so, does anyone know if it exists in all md packages like cp2k?
Is there any way for me to solve this problem in qe package?

Yours sincerely,
Zara
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200506/62b6fb43/attachment.html>