LAMMPS Builds without OPENMP

I am building lammps on a new HPC with PKG_OMP=ON using Cmake.
It says OpenMP has been found and configured, and after running CMAKE, it says -- Enabled packages: CLASS2;DIPOLE;KSPACE;MOLECULE;OPENMP

When run make and install, no flags are produced, and I can see it building some omp enabled pair styles like pair_lj_long_coul_long_omp.

But then when I check the executable with lmp -h, most (but not all) of the omp pair styles like lj/class2/coul/long/omp are missing, and the
“Installed Packages” section does NOT have OPENMP in it, and LAMMPS gives me errors that say “ERROR: Package omp command without OPENMP package installed (src/input.cpp:1721)”

What is going on here?

Impossible to say for certain without knowing more details and essentially being able to look over your shoulder.

The most common issue would be that you have a different LAMMPS executable somewhere in your path and either the installed directory is missing or somewhere later in your path. You can do two things to check this:

  1. try typing: which lmp or type lmp. Does it point to the expected folder where you installed LAMMPS?
  2. try typing in the build folder: ./lmp -h. Does it show the expected output?

Also: if you type lmp -h, does it show the expected version of LAMMPS?

1 Like

This is exactly what it was!

There was an old lammps hiding somewhere.
Thank you Dr. Kohlmeyer!