[QE-users] How to detect that QE is running in parallel

[Offermans Willem]

Dear quantum espresso friends,

I’m a bit confused. I want to run a geometry optimisation with pw.x in parallel on 4 CPUs.
I want to do k-point parallelization. From http://training.uhem.itu.edu.tr/docs/18hazirannano/PW-III-para.pdf:

k-points are distributed among npool pools of CPUs

I started the following:

mpirun -np 4 pw.x -npool 4 -inp input file 

It seems to work, since I got output. But what is confusing me, is that in the output is stated:

``Serial version``

``number of k points=     4``

Nothing is noted that the calculations of 4 k-point is distributed among 4 CPUs.

Can someone give me an advice on where to look for confirmation?



Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073 

Willem.Offermans at Vito.be

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210122/84114cff/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: vito.jpg
Type: image/jpeg
Size: 15232 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210122/84114cff/attachment.jpg>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: smime.p7s
Type: application/pkcs7-signature
Size: 3953 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210122/84114cff/attachment.p7s>