Regarding NEB

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



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.”


I have built lammps with REPLICA package.

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.