update example outputs
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@ -67,20 +67,20 @@ Step Temp E_pair E_mol TotEng Press
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150 1.6595852 -4.7697199 0 -2.2809644 5.7837898
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200 1.6371471 -4.7363942 0 -2.2812874 5.924977
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250 1.6315623 -4.7278268 0 -2.2810951 5.9807196
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Loop time of 0.300176 on 4 procs for 250 steps with 4000 atoms
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Loop time of 0.291846 on 4 procs for 250 steps with 4000 atoms
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Performance: 359789.395 tau/day, 832.846 timesteps/s
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99.3% CPU use with 4 MPI tasks x 1 OpenMP threads
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Performance: 370058.286 tau/day, 856.616 timesteps/s
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99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.23104 | 0.23876 | 0.2451 | 1.2 | 79.54
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Neigh | 0.022763 | 0.023687 | 0.024305 | 0.4 | 7.89
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Comm | 0.025416 | 0.032499 | 0.041304 | 3.7 | 10.83
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Output | 0.00015378 | 0.00016057 | 0.00017667 | 0.0 | 0.05
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Modify | 0.0035894 | 0.0036637 | 0.0037456 | 0.1 | 1.22
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Other | | 0.001409 | | | 0.47
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Pair | 0.22586 | 0.23364 | 0.24085 | 1.3 | 80.06
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Neigh | 0.022808 | 0.023235 | 0.023602 | 0.2 | 7.96
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Comm | 0.022573 | 0.030065 | 0.038092 | 3.9 | 10.30
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Output | 0.00013423 | 0.00014067 | 0.00015759 | 0.0 | 0.05
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Modify | 0.0035079 | 0.0035501 | 0.0036008 | 0.1 | 1.22
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Other | | 0.001211 | | | 0.42
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Nlocal: 1000 ave 1010 max 981 min
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Histogram: 1 0 0 0 0 0 1 0 0 2
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