diff --git a/source/lmp/tests/run_mpi_pair_deepmd.py b/source/lmp/tests/run_mpi_pair_deepmd.py index b27774ce11..0c4291ab3a 100644 --- a/source/lmp/tests/run_mpi_pair_deepmd.py +++ b/source/lmp/tests/run_mpi_pair_deepmd.py @@ -54,8 +54,8 @@ ) lammps.pair_coeff("* *") lammps.run(0) -pe = lammps.eval("pe") if rank == 0: + pe = lammps.eval("pe") arr = [pe] np.savetxt(output, np.array(arr)) MPI.Finalize()