(base) shradhayadav@eduroam-226-20-195 Code % lmp -in input_BMH.lammps LAMMPS (29 Aug 2024) Reading data file ... triclinic box = (0 0 0) to (7.9110007 7.9110007 7.9110007) with tilt (4.4408921e-16 4.4408921e-16 5.7735083e-10) 1 by 1 by 1 MPI processor grid reading atoms ... 160 atoms Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0 special bond factors coul: 0 0 0 0 = max # of 1-2 neighbors 0 = max # of 1-3 neighbors 0 = max # of 1-4 neighbors 1 = max # of special neighbors special bonds CPU = 0.003 seconds read_data CPU = 0.012 seconds Replication is creating a 1x1x1 = 1 times larger system... triclinic box = (0 0 0) to (7.9110007 7.9110007 7.9110007) with tilt (4.4408921e-16 4.4408921e-16 5.7735083e-10) 1 by 1 by 1 MPI processor grid 160 atoms Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0 special bond factors coul: 0 0 0 0 = max # of 1-2 neighbors 0 = max # of 1-3 neighbors 0 = max # of 1-4 neighbors 1 = max # of special neighbors special bonds CPU = 0.000 seconds replicate CPU = 0.001 seconds CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - Type Label Framework: https://doi.org/10.1021/acs.jpcb.3c08419 The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Switching to 'neigh_modify every 1 delay 0 check yes' setting during minimization Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.5 ghost atom cutoff = 6.5 binsize = 3.25, bins = 3 3 3 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair born/coul/dsf, perpetual attributes: half, newton on pair build: half/bin/newton/tri stencil: half/bin/3d/tri bin: standard (2) pair sw/angle/table, perpetual attributes: full, newton on, cut 3.782852759048374 pair build: full/bin stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 ERROR on proc 0: Illegal angle in angle style table (src/src/MANYBODY/pair_sw_angle_table.cpp:727) Last command: minimize 1.0e-1 1.0e-1 100000 100000 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 (base) shradhayadav@eduroam-226-20-195 Code %