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!
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One processors are reduced automatically? (NEB calculation)
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n0timportant
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One processors are reduced automatically? (NEB calculation)
Last edited by n0timportant on Sat Apr 22, 2017 3:06 pm, edited 4 times in total.
Re: One processors are reduced automatically? (NEB calculation)
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?