LAMMPS (30 Aug 2013) Lattice spacing in x,y,z = 5.25623 5.25623 5.25623 Created orthogonal box = (0 0 0) to (525.623 52.5623 52.5623) 4 by 1 by 1 MPI processor grid ATC: constructing elastic coupling with parameter file Ar_CauchyBornLinear.mat ATC: version 2.0 ATC: peratom PE compute created with ID: 3 ATC: computed mass density : 1.10041 ATC: 1 materials defined from Ar_CauchyBornLinear.mat ATC: created uniform mesh with 104 nodes, 26 unique nodes, and 25 elements ATC: created nodeset lbc with 1 nodes ATC: created nodeset rbc1 with 1 nodes ATC: created nodeset rbc2 with 1 nodes ATC: created nodeset rbc3 with 1 nodes ATC: created nodeset rbc4 with 1 nodes ATC: created nodeset rbc5 with 1 nodes ATC: Warning : text output can create _LARGE_ files ATC: output custom names: Setting up run ... ATC: created cubic stress function: lammps ATC units c11=0.623221 0.000260756 c12=0.355572 0.000148771 c44=0.355572 0.000148771 ATC: CB stiffness: 7.56711 Einstein freq: 0.355647 Memory usage per processor = 0.432442 Mbytes Step CPU 0 0 100 0.19894195 200 0.54752588 300 0.75445199 400 0.94880295 500 1.1433959 600 1.338244 700 1.5324099 800 1.726114 900 1.919677 1000 2.1139181 1100 2.3072131 1200 2.500865 1300 2.6950519 1400 2.889164 1500 3.083117 1600 3.27705 1700 3.4697859 1800 3.662446 1900 3.8553479 2000 4.0488789 2100 4.24175 2200 4.4346449 2300 4.6276269 2400 4.820528 2500 5.0138869 2600 5.206893 2700 5.400527 2800 5.5940149 2900 5.7866969 3000 5.980119 Loop time of 5.98014 on 4 procs for 3000 steps with 0 atoms Pair time (%) = 0 (0) Neigh time (%) = 0 (0) Comm time (%) = 0.00203913 (0.0340984) Outpt time (%) = 0.00380564 (0.0636379) Other time (%) = 5.9743 (99.9023) Nlocal: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 Total # of neighbors = 0 Neighbor list builds = 0 Dangerous builds = 0