ERROR: Illegal pair_style command (src/MANYBODY/pair_eam.cpp:362)

LAMMPS LAMMPS Installation
1

I have two compiled versions of lammps in Ubuntu 22.04 and 24.04 machines. Both are the lammps featured release from 11 Feb 2026. The 24.04 runs without problems, but the 22.04 gives the error: Illegal pair_style command (src/MANYBODY/pair_eam.cpp:362).

The pair style definition is:

pair_style hybrid/overlay eam/alloy coul/ctip 0.3 12.
pair_coeff * * coul/ctip TiO.ctip O Ti
pair_coeff * * eam/alloy HfNbZrTiTaO.eam.alloy O Ti

For both installations, I have MANYBODY, QEQ, and EXTRA-PAIR packages installed. I used lmp -h to check the installed packages and pair styles. The pair style eam/alloy is present in both installations, but the pair style coul/ctip is absent in the running lammps for UBUNTU 22.04.

I checked the line src/MANYBODY/pair_eam.cpp:362, but I have no clue about the problem.

I appreciate any tip that may help me solve this situation.

Thanks,

Roberto

2

This is impossible without having more information.
For starters, you could provide the output of lmp -h for the two different executables up to the point of where the individual styles are listed. There are loads of useful details in them. Here would be the equivalent output of my current development executable:


Large-scale Atomic/Molecular Massively Parallel Simulator - 11 Feb 2026 - Development
Git info (collected-small-fixes / patch_11Feb2026-206-gcceebd60eb-modified)

[...]

OS: Linux "Fedora Linux 43 (Forty Three)" 6.18.13-200.fc43.x86_64 x86_64

Compiler: GNU C++ 15.2.1 20260123 (Red Hat 15.2.1-7) with OpenMP 4.5
C++ standard: C++20
Using fmt library emulation with std::format
Embedded JSON class version: 3.12.0

MPI v4.1: MPICH Version:      4.2.2
MPICH Release date: Wed Jul  3 09:16:22 AM CDT 2024
MPICH ABI:          16:2:4

Accelerator configuration:

GPU package API: OpenCL
GPU package precision: mixed
KOKKOS package API: OpenMP Serial
KOKKOS package precision: double
KOKKOS package view layout: legacy
Kokkos library version: 5.0.2
OPENMP package API: OpenMP
OPENMP package precision: double
OpenMP standard: OpenMP 4.5
INTEL package API: OpenMP
INTEL package precision: single mixed double
INTEL package SIMD: not enabled

Compatible GPU present: yes

FFT information:

FFT precision  = double
FFT engine  = mpiFFT
FFT library = FFTW3 with threads
KOKKOS FFT engine  = mpiFFT
KOKKOS FFT library = KISS

Active compile time flags:

-DLAMMPS_GZIP
-DLAMMPS_PNG
-DLAMMPS_JPEG
-DLAMMPS_FFMPEG
-DLAMMPS_CURL
-DLAMMPS_SMALLBIG
sizeof(smallint): 32-bit
sizeof(imageint): 32-bit
sizeof(tagint):   32-bit
sizeof(bigint):   64-bit

Available compression formats:

Extension: .gz     Command: gzip
Extension: .bz2    Command: bzip2
Extension: .zst    Command: zstd
Extension: .xz     Command: xz
Extension: .lzma   Command: xz
Extension: .lz4    Command: lz4
Extension: .br     Command: brotli
Extension: .7z     Command: 7z


Installed packages:

AMOEBA APIP ASPHERE BOCS BODY BPM BROWNIAN CG-DNA CG-SPICA CLASS2 COLLOID 
COLVARS COMPRESS CORESHELL DIELECTRIC DIFFRACTION DIPOLE DPD-BASIC DPD-MESO 
DPD-REACT DPD-SMOOTH DRUDE EFF ELECTRODE EXTRA-COMMAND EXTRA-COMPUTE 
EXTRA-DUMP EXTRA-FIX EXTRA-MOLECULE EXTRA-PAIR FEP GPU GRANULAR GRAPHICS H5MD 
INTEL INTERLAYER KIM KOKKOS KSPACE LATBOLTZ LEPTON MACHDYN MANIFOLD MANYBODY 
MC MDI MEAM MESONT MGPT MISC ML-IAP ML-PACE ML-POD ML-QUIP ML-RANN ML-SNAP 
ML-UF3 MOFFF MOLECULE MOLFILE NETCDF OPENMP OPT ORIENT PERI PHONON PLUGIN PTM 
PYTHON QEQ QTB REACTION REAXFF REPLICA RHEO RIGID SHOCK SMTBQ SPH SPIN SRD 
TALLY UEF VORONOI YAFF
3

Hi Axel,

Thank you very much.

I found my mistake. As is very usual, a stupid one. I was compiling Lammps in a computer with an old version. I deleted the old version and it is running.

Cheers,

Roberto

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