NEB calculation，one processors are reduced automatically!
Posted: Fri Jun 14, 2013 2:49 pm
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 !