Hi! For simulations using a very high amount of atoms with the eam/alloy pair_style, I am using LAMMPS on a supercomputer available through my university.
However, this version of LAMMPS (20180822) doesn’t have the following packages installed : -GPU, -KOKKOS, -MANYBODY, -MSCG, -QEQ, -USER-ATC and -USER-QUIP.
Because of this, whenever I launch a simulation LAMMPS returns the error “unknown pair style”, I have tried using eam/alloy, eam/fs/opt, eam/alloy/opt and eam/opt to no avail.
It is my understanding that the eam/alloy pair style is from the -MANYBODY package, but since the OPT package is available, shouldn’t eam/alloy/opt or simply eam/opt work?
Hi! For simulations using a very high amount of atoms with the eam/alloy pair_style, I am using LAMMPS on a supercomputer available through my university.
However, this version of LAMMPS (20180822) doesn’t have the following packages installed : -GPU, -KOKKOS, -MANYBODY, -MSCG, -QEQ, -USER-ATC and -USER-QUIP.
Because of this, whenever I launch a simulation LAMMPS returns the error “unknown pair style”, I have tried using eam/alloy, eam/fs/opt, eam/alloy/opt and eam/opt to no avail.
It is my understanding that the eam/alloy pair style is from the -MANYBODY package, but since the OPT package is available, shouldn’t eam/alloy/opt or simply eam/opt work?
no. “styles” in LAMMPS are implemented as (derived) C++ classes. all pair styles are derived from the base class Pair, but “suffix” classes, e.g. eam/alloy/opt or eam/alloy/omp are derived from the corresponding non-OPT or non-USER-OMP class in the MANYBODY package. so without MANYBODY, you are without luck. you need to compile your own LAMMPS binary.
using the CMake build system, especially with the very latest LAMMPS development patches, it should be rather straightforward to compile with the “minimal.cmake” preset.
axel.
Alright I understand, thank you very much for the clarification!
Have a good day,
Antoine.