Good afternoon!
I try to perform simulation of crystallization of alloy with LAMMPS package.
The initialization file and the file with potential are here: in-file, potential.
However, the execution fails with the following output:
…/…/src/lmp_g++_openmpi < …/in.AlNi.prism_npt-1
LAMMPS (21 Feb 2017)
Lattice spacing in x,y,z = 3.7 3.7 3.7
Created triclinic box = (0 0 0) to (74 74 74) with tilt (0 0 0)
1 by 1 by 1 MPI processor grid
Created 20000 atoms
16000 atoms in group al
4000 atoms in group ni
Setting atom values …
16000 settings made for type
Setting atom values …
4000 settings made for type
ERROR: Unknown pair style eam/alloy/opt (…/force.cpp:244)
Last command: pair_style eam/alloy/opt
My system information:
lsb_release -idrc && echo Kernel Release:
uname -r
Distributor ID: SUSE LINUX
Description: openSUSE Leap 42.1 (x86_64)
Release: 42.1
Codename: n/a
Kernel Release: 4.1.38-47-default
gcc --version | grep ‘gcc’
gcc (SUSE Linux) 4.8.5
This LAMMPS version was installed from GitHub.
I also have an older version of LAMMPS installed from repository,
lammps -help | grep ‘LAMMPS’
LAMMPS (12 Apr 2013)
It does run the simulation, but returns incorrect results. As I know, this was fixed at later versions in 2016 year, so I need to use recent versions of LAMMPS.
Could somebody help to overcome the error, obtained with the later version on my system, please?
Thank you in advance.
Regards, Natalia