One processors are reduced automatically? (NEB calculation)

Vasp transition state theory tools

Moderator: moderators

Post Reply
n0timportant
Posts: 1
Joined: Thu Dec 22, 2016 3:55 pm
Contact:

One processors are reduced automatically? (NEB calculation)

Post by n0timportant »

Hi guys,

I'm just performing CINEB calculation and I'm using parrall vasp for it. Ten images are made using nebmake.pl (e.g. 00, 01, 02 ... 11), so I take 10 processors when the vasp are running and each image is running on the one processor.

So on the beginning I use top to check numbers of vasp processors and it is 10, cool. However, after few hours I do it again and I can see that one vasp processor are reduced automatically, so now it's nine.

It's no using even when I recompile the mpich and vasp source codes..

Maybe you have an idea what's wrong with this calculation?
Best regards!

--------------
http://intotheshadows.pl and https://fshoq.com - my personal blog about travels, photography and healthy lifestyle.
Last edited by n0timportant on Sat Apr 22, 2017 3:06 pm, edited 4 times in total.
graeme
Site Admin
Posts: 2256
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: One processors are reduced automatically? (NEB calculation)

Post by graeme »

Could it be that one image has finished calculating the force and energy and is waiting for the others to finish before the next ionic iteration can take place?
Post Reply