Cannot use neb with a single replica.

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1

Hi all,

I’m still having the same error: “Cannot use NEB with a single replica.” I am using a core 15 comp with windows 8.1 OS installed. I have installed the current version of lammps with the src files and still I cant find the right procedure on how to use the replica package.

Miq

2

all you have to do is read the documentation. the documentation for
the neb command states:

3

Just in case, for neb particularly

IMPORTANT NOTE: The current NEB implementation in LAMMPS only allows there to be one processor per replica.

(also from the documentation)

Oleg

06.07.2015, 18:11, “Axel Kohlmeyer” <akohlmey@…24…>: