Regarding NEB

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1

Dear lammps users,

I am new to lammps & just installed parallel version of lammps with openmpi with replica package. I have tried to run the NEB example given in the lammps example directory but it shows “invalid fix style”. I don’t understand where is the problem.

Please help me.Thanks in advance

Regarding

Ali

2

This error can come if you have not built LAMMPS with the REPLICA package.
From the LAMMPS manual ->
“This command can only be used if LAMMPS was built with the REPLICA package.”

Manoj

3

I have built lammps with REPLICA package.

4

Then you may be missing som other fix style. Please carefully study the output of running lammps with the -h flag and compare it with your input script.

also using the -echo screen flag can help to identify which fix exactly is causing the problem.

Axel.