NEB calculation,one processors are reduced automatically!

Vasp transition state theory tools

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zhengjifine
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Joined: Mon Sep 24, 2012 3:54 am

NEB calculation,one processors are reduced automatically!

Post by zhengjifine »

I perform the ClNEB calculation using parrall vasp. the 10 images are made using nebmake.pl, e.g 00 01 02 ... 11 . so I choose 10 processors when the vasp are running, and each image running on the 1 processor. at the begin, using top to check the numbers of vasp processors, it's 10. Howerver, after a few hours, I check the processors again, one vasp processor are reduced automatically. becoming 9 vasp processors.it is no using even that i recompile the mpich and vasp source codes. So whats wrong with this calculation ? thanks very much !
graeme
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Re: NEB calculation,one processors are reduced automatically

Post by graeme »

Check the output in each image directory to make sure they are all set up correctly, or if some error message is reported.
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