Adding new example
This commit is contained in:
Joel Clemmer
@ -1,12 +1,12 @@
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LAMMPS (24 Dec 2020)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
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using 1 OpenMP thread(s) per MPI task
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# Big colloid particles and small LJ particles
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# Shear power-law distributed granular particles
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units lj
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atom_style sphere
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dimension 2
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read_data data
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read_data data.powerlaw
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Reading data file ...
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triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
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2 by 2 by 1 MPI processor grid
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@ -14,7 +14,7 @@ Reading data file ...
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10000 atoms
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reading velocities ...
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10000 velocities
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read_data CPU = 0.024 seconds
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read_data CPU = 0.114 seconds
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change_box all triclinic
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Changing box ...
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triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
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@ -28,22 +28,22 @@ comm_modify mode multi vel yes reduce/multi
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# granular potential
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pair_style granular
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pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
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pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
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# fixes
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fix 1 all nve/sphere
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fix 2 all enforce2d
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fix 3 all deform 1 xy erate 2e-4
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fix 3 all deform 1 xy erate 1e-4
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# dump 1 all custom 2000 dump.granular id x y z radius
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# dump 1 all custom 20000 dump.granular id x y z radius
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thermo_style custom step temp epair etotal press vol pxy
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thermo 1000
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timestep 0.005
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run 100000
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run 200000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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@ -58,134 +58,234 @@ Neighbor list info ...
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bin: multi
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Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.67 | 12.68 Mbytes
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Step Temp E_pair TotEng Press Volume Pxy
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0 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693
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1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238
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2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491
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3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775
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4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688
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5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111
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6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445
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7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987
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8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441
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9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804
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10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381
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11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975
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12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449
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13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347
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14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797
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15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835
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16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928
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17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904
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18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865
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19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187
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20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374
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21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254
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22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194
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23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101
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24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964
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25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833
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26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354
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27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511
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28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585
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29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682
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30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757
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31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690709
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32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143
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33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811
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34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013
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35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387
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36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137
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37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813
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38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655
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39000 0.0006117822 0 0.00061172102 0.029468049 103595.49 -0.0066810094
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40000 0.00062087615 0 0.00062081406 0.02930398 103595.49 -0.0067044715
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41000 0.00062938044 0 0.0006293175 0.029314381 103595.49 -0.0065941361
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42000 0.00063664289 0 0.00063657923 0.029294787 103595.49 -0.0065039202
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43000 0.00064404027 0 0.00064397587 0.029224232 103595.49 -0.0065035306
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44000 0.00064990723 0 0.00064984224 0.029142324 103595.49 -0.0065034116
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45000 0.00065485343 0 0.00065478795 0.029121173 103595.49 -0.0065214973
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46000 0.00065918796 0 0.00065912204 0.029651005 103595.49 -0.0060509446
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47000 0.00066144517 0 0.00066137903 0.029234729 103595.49 -0.0064672274
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48000 0.00066261185 0 0.00066254559 0.029229845 103595.49 -0.0065053596
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49000 0.00066414215 0 0.00066407574 0.029562705 103595.49 -0.0062441985
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50000 0.0006656453 0 0.00066557874 0.029728174 103595.49 -0.0062147051
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51000 0.00066738973 0 0.00066732299 0.029928822 103595.49 -0.0060118516
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52000 0.00066929756 0 0.00066923063 0.029886551 103595.49 -0.0061374389
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53000 0.00067003172 0 0.00066996472 0.029567015 103595.49 -0.0063482821
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54000 0.00067198511 0 0.00067191791 0.029833698 103595.49 -0.0061879264
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55000 0.00067091193 0 0.00067084484 0.029711467 103595.49 -0.006233379
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56000 0.00067046578 0 0.00067039873 0.030035238 103595.49 -0.0060959401
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57000 0.00066988234 0 0.00066981535 0.030055225 103595.49 -0.0060935858
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58000 0.00066786916 0 0.00066780238 0.029282172 103595.49 -0.0066021495
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59000 0.00065350543 0 0.00065344008 0.029343567 103595.49 -0.0065364678
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60000 0.0006530936 0 0.0006530283 0.02940862 103595.49 -0.0065558353
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61000 0.00065187483 0 0.00065180964 0.02929946 103595.49 -0.0066840857
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62000 0.00065245428 0 0.00065238904 0.030084765 103595.49 -0.0063065368
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63000 0.0006549311 0 0.00065486561 0.029725525 103595.49 -0.0065305296
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64000 0.00065774123 0 0.00065767546 0.029562667 103595.49 -0.0066194535
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65000 0.00066126698 0 0.00066120085 0.029524987 103595.49 -0.0067008104
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66000 0.0006643846 0 0.00066431816 0.029589813 103595.49 -0.0066689844
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67000 0.00066823073 0 0.00066816391 0.029613668 103595.49 -0.0067372273
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68000 0.00067301835 0 0.00067295104 0.029568568 103595.49 -0.0067808311
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69000 0.00067876831 0 0.00067870043 0.029948152 103595.49 -0.0065107568
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70000 0.00068419902 0 0.0006841306 0.029572996 103595.49 -0.0067066975
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71000 0.00068730343 0 0.0006872347 0.029970497 103595.49 -0.0063646358
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72000 0.00068930016 0 0.00068923123 0.029602044 103595.49 -0.0064953597
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73000 0.00068953092 0 0.00068946197 0.029671751 103595.49 -0.0064422021
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74000 0.00069106659 0 0.00069099748 0.029918321 103595.49 -0.0062634576
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75000 0.00069609345 0 0.00069602384 0.029666179 103595.49 -0.0063552778
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76000 0.00070399534 0 0.00070392494 0.029599912 103595.49 -0.0063251165
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77000 0.00070284669 0 0.00070277641 0.029658992 103595.49 -0.0061988379
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78000 0.00070619715 0 0.00070612653 0.029578035 103595.49 -0.0062153063
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79000 0.00070895477 0 0.00070888388 0.029617734 103595.49 -0.0062090554
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80000 0.00071127424 0 0.00071120311 0.029539347 103595.49 -0.0062883775
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81000 0.00070945256 0 0.00070938162 0.029515493 103595.49 -0.0063350852
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82000 0.00070895167 0 0.00070888078 0.029537389 103595.49 -0.0063819074
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83000 0.00070948858 0 0.00070941763 0.02998589 103595.49 -0.0061284544
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84000 0.00071197606 0 0.00071190486 0.030005566 103595.49 -0.0061829926
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85000 0.00071266684 0 0.00071259557 0.029675137 103595.49 -0.0063804963
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86000 0.00071465352 0 0.00071458205 0.029762675 103595.49 -0.0062924985
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87000 0.00071779428 0 0.0007177225 0.029712831 103595.49 -0.0063812951
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88000 0.00072016431 0 0.0007200923 0.029932619 103595.49 -0.0063145709
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89000 0.00072271727 0 0.000722645 0.029818327 103595.49 -0.0064025621
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90000 0.00072122834 0 0.00072115622 0.029829495 103595.49 -0.0065870713
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91000 0.00072441206 0 0.00072433962 0.029939415 103595.49 -0.0064224045
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||||
92000 0.00072735846 0 0.00072728572 0.02991447 103595.49 -0.0064256019
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||||
93000 0.00072898882 0 0.00072891592 0.030230938 103595.49 -0.0061929729
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||||
94000 0.00072985209 0 0.00072977911 0.030145973 103595.49 -0.0062797016
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||||
95000 0.0007320685 0 0.0007319953 0.030113809 103595.49 -0.0062765142
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||||
96000 0.0007337917 0 0.00073371832 0.029919191 103595.49 -0.0063350801
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||||
97000 0.00073385417 0 0.00073378078 0.030184207 103595.49 -0.0062855982
|
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98000 0.00073531629 0 0.00073524276 0.029974905 103595.49 -0.0064826333
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99000 0.0007380024 0 0.0007379286 0.030678507 103595.49 -0.0060867823
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100000 0.00073858055 0 0.00073850669 0.030048209 103595.49 -0.0065772058
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Loop time of 77.8133 on 4 procs for 100000 steps with 10000 atoms
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0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917
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1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806
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2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933
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3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442
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4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424
|
||||
5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634
|
||||
6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973
|
||||
7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709
|
||||
8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399
|
||||
9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514
|
||||
10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784
|
||||
11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238
|
||||
12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884
|
||||
13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404
|
||||
14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526
|
||||
15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788
|
||||
16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453
|
||||
17000 0.00020285197 0 0.00020283168 0.5786311 103595.49 -0.040960671
|
||||
18000 0.00020319173 0 0.00020317141 0.57842387 103595.49 -0.042257076
|
||||
19000 0.00020290253 0 0.00020288224 0.57795043 103595.49 -0.043364149
|
||||
20000 0.00020509847 0 0.00020507796 0.57714779 103595.49 -0.04439226
|
||||
21000 0.0002180326 0 0.0002180108 0.57569003 103595.49 -0.044749042
|
||||
22000 0.00020751218 0 0.00020749143 0.57477071 103595.49 -0.045719595
|
||||
23000 0.0002205328 0 0.00022051075 0.57409228 103595.49 -0.047332145
|
||||
24000 0.00022689643 0 0.00022687374 0.57325004 103595.49 -0.048717593
|
||||
25000 0.00025224797 0 0.00025222275 0.57283728 103595.49 -0.050255013
|
||||
26000 0.00025343192 0 0.00025340657 0.5723866 103595.49 -0.051604294
|
||||
27000 0.0002668981 0 0.00026687141 0.57221051 103595.49 -0.052915314
|
||||
28000 0.00027867942 0 0.00027865155 0.57197889 103595.49 -0.053831415
|
||||
29000 0.00028697868 0 0.00028694998 0.57177287 103595.49 -0.054693262
|
||||
30000 0.00028857623 0 0.00028854737 0.5714545 103595.49 -0.055559583
|
||||
31000 0.00029228526 0 0.00029225603 0.57110328 103595.49 -0.056491646
|
||||
32000 0.00029648479 0 0.00029645514 0.57060242 103595.49 -0.057299367
|
||||
33000 0.00030524226 0 0.00030521174 0.57003089 103595.49 -0.058207205
|
||||
34000 0.00031725278 0 0.00031722106 0.56920179 103595.49 -0.059123522
|
||||
35000 0.00032273715 0 0.00032270488 0.56844806 103595.49 -0.06001074
|
||||
36000 0.00033013214 0 0.00033009912 0.56795631 103595.49 -0.06107304
|
||||
37000 0.00033942364 0 0.00033938969 0.56749308 103595.49 -0.062060209
|
||||
38000 0.00035140856 0 0.00035137342 0.56682754 103595.49 -0.062954063
|
||||
39000 0.00036125739 0 0.00036122126 0.56654839 103595.49 -0.063755554
|
||||
40000 0.00037765404 0 0.00037761628 0.56619876 103595.49 -0.064535888
|
||||
41000 0.00040833154 0 0.00040829071 0.56554179 103595.49 -0.064688901
|
||||
42000 0.0004285629 0 0.00042852004 0.56474124 103595.49 -0.06526276
|
||||
43000 0.00042691211 0 0.00042686942 0.56362219 103595.49 -0.065275494
|
||||
44000 0.00040296803 0 0.00040292773 0.56310053 103595.49 -0.065625772
|
||||
45000 0.00040933842 0 0.00040929749 0.56291338 103595.49 -0.066164396
|
||||
46000 0.00040202229 0 0.00040198209 0.56273845 103595.49 -0.066541045
|
||||
47000 0.00038914157 0 0.00038910266 0.562658 103595.49 -0.067357923
|
||||
48000 0.00038428678 0 0.00038424835 0.5627468 103595.49 -0.068230972
|
||||
49000 0.00036912501 0 0.0003690881 0.56261857 103595.49 -0.068794933
|
||||
50000 0.00035203987 0 0.00035200467 0.56258099 103595.49 -0.069290362
|
||||
51000 0.00034400774 0 0.00034397334 0.56237066 103595.49 -0.070274303
|
||||
52000 0.00034126666 0 0.00034123253 0.56221436 103595.49 -0.071744779
|
||||
53000 0.00033563205 0 0.00033559849 0.56195218 103595.49 -0.072836324
|
||||
54000 0.0003304406 0 0.00033040756 0.5623187 103595.49 -0.073999087
|
||||
55000 0.00032742828 0 0.00032739553 0.56225383 103595.49 -0.075066978
|
||||
56000 0.00032696921 0 0.00032693651 0.56285643 103595.49 -0.076445225
|
||||
57000 0.0003316388 0 0.00033160564 0.56354513 103595.49 -0.077683955
|
||||
58000 0.00034325202 0 0.0003432177 0.56416895 103595.49 -0.078839054
|
||||
59000 0.0003433584 0 0.00034332406 0.56490343 103595.49 -0.079658776
|
||||
60000 0.00034732721 0 0.00034729247 0.5651932 103595.49 -0.080573609
|
||||
61000 0.00034978913 0 0.00034975415 0.56517379 103595.49 -0.081109788
|
||||
62000 0.00034995232 0 0.00034991733 0.56534537 103595.49 -0.081491908
|
||||
63000 0.00033854315 0 0.00033850929 0.56582246 103595.49 -0.081894953
|
||||
64000 0.0003260452 0 0.00032601259 0.56583259 103595.49 -0.082790811
|
||||
65000 0.00031763096 0 0.0003175992 0.56576947 103595.49 -0.083707224
|
||||
66000 0.00031761371 0 0.00031758194 0.56548785 103595.49 -0.084243042
|
||||
67000 0.00031503681 0 0.0003150053 0.56483862 103595.49 -0.08451056
|
||||
68000 0.0003036386 0 0.00030360824 0.56444755 103595.49 -0.084967521
|
||||
69000 0.00030398979 0 0.00030395939 0.56436362 103595.49 -0.085541879
|
||||
70000 0.0003281569 0 0.00032812409 0.56372598 103595.49 -0.085287975
|
||||
71000 0.00035614631 0 0.0003561107 0.56322133 103595.49 -0.084970215
|
||||
72000 0.00032709207 0 0.00032705936 0.56231837 103595.49 -0.085540239
|
||||
73000 0.00032545048 0 0.00032541793 0.56278947 103595.49 -0.085940822
|
||||
74000 0.00033285331 0 0.00033282002 0.56288405 103595.49 -0.08695227
|
||||
75000 0.00034622589 0 0.00034619127 0.56198219 103595.49 -0.086349357
|
||||
76000 0.00033654825 0 0.0003365146 0.56183659 103595.49 -0.086892729
|
||||
77000 0.00033550364 0 0.00033547009 0.56197292 103595.49 -0.087018641
|
||||
78000 0.00032680247 0 0.00032676979 0.56183307 103595.49 -0.087097072
|
||||
79000 0.00031624495 0 0.00031621333 0.56161689 103595.49 -0.087358849
|
||||
80000 0.0003124879 0 0.00031245665 0.5618608 103595.49 -0.087165611
|
||||
81000 0.00029451552 0 0.00029448606 0.56211081 103595.49 -0.087652479
|
||||
82000 0.00029588468 0 0.00029585509 0.5628096 103595.49 -0.08832193
|
||||
83000 0.00030483225 0 0.00030480177 0.56261673 103595.49 -0.088586937
|
||||
84000 0.00029556003 0 0.00029553047 0.56272654 103595.49 -0.089434209
|
||||
85000 0.00030506369 0 0.00030503319 0.5627918 103595.49 -0.089830152
|
||||
86000 0.00030015302 0 0.00030012301 0.56240656 103595.49 -0.090100219
|
||||
87000 0.00030322942 0 0.0003031991 0.56243997 103595.49 -0.090327187
|
||||
88000 0.00030569181 0 0.00030566124 0.56236256 103595.49 -0.090734148
|
||||
89000 0.00031220625 0 0.00031217503 0.5621542 103595.49 -0.090898044
|
||||
90000 0.00032214966 0 0.00032211744 0.56209534 103595.49 -0.090909986
|
||||
91000 0.00033884101 0 0.00033880712 0.56191673 103595.49 -0.090818046
|
||||
92000 0.00033260559 0 0.00033257233 0.56172194 103595.49 -0.090647169
|
||||
93000 0.00032732547 0 0.00032729274 0.5619652 103595.49 -0.090575176
|
||||
94000 0.00033817734 0 0.00033814352 0.56155436 103595.49 -0.090700379
|
||||
95000 0.00033009649 0 0.00033006348 0.56147407 103595.49 -0.090940641
|
||||
96000 0.00032882782 0 0.00032879494 0.56191577 103595.49 -0.091469188
|
||||
97000 0.00032856078 0 0.00032852793 0.56271585 103595.49 -0.092256803
|
||||
98000 0.00033030749 0 0.00033027446 0.56340097 103595.49 -0.093188128
|
||||
99000 0.00033611507 0 0.00033608146 0.56375754 103595.49 -0.093539699
|
||||
100000 0.00034990568 0 0.00034987069 0.56450225 103595.49 -0.093951624
|
||||
101000 0.00044441478 0 0.00044437034 0.56437908 103595.49 -0.094161976
|
||||
102000 0.00045403284 0 0.00045398743 0.56433013 103595.49 -0.093900071
|
||||
103000 0.00045412317 0 0.00045407776 0.56468095 103595.49 -0.093670567
|
||||
104000 0.00046494637 0 0.00046489988 0.56478442 103595.49 -0.093397211
|
||||
105000 0.00047962271 0 0.00047957475 0.56482329 103595.49 -0.093141318
|
||||
106000 0.00046840864 0 0.0004683618 0.56494359 103595.49 -0.092994704
|
||||
107000 0.00046432422 0 0.00046427779 0.56543377 103595.49 -0.093135897
|
||||
108000 0.0004655443 0 0.00046549774 0.5656898 103595.49 -0.093383926
|
||||
109000 0.0004863785 0 0.00048632986 0.5657434 103595.49 -0.093328929
|
||||
110000 0.00048804324 0 0.00048799443 0.5656147 103595.49 -0.09302382
|
||||
111000 0.00050352097 0 0.00050347062 0.56529279 103595.49 -0.092461373
|
||||
112000 0.00050474509 0 0.00050469461 0.56537494 103595.49 -0.092212501
|
||||
113000 0.0005125299 0 0.00051247865 0.56547326 103595.49 -0.092304578
|
||||
114000 0.00052700168 0 0.00052694898 0.56568076 103595.49 -0.092013613
|
||||
115000 0.00054217865 0 0.00054212444 0.56526328 103595.49 -0.091011537
|
||||
116000 0.00055122699 0 0.00055117186 0.56489606 103595.49 -0.090688925
|
||||
117000 0.00055802701 0 0.00055797121 0.56458767 103595.49 -0.090385903
|
||||
118000 0.00055416633 0 0.00055411091 0.56433528 103595.49 -0.090454192
|
||||
119000 0.00055519395 0 0.00055513843 0.56411926 103595.49 -0.090495063
|
||||
120000 0.0005535194 0 0.00055346405 0.56424847 103595.49 -0.090915789
|
||||
121000 0.00054781097 0 0.00054775619 0.56443756 103595.49 -0.090687173
|
||||
122000 0.00054528815 0 0.00054523362 0.56401103 103595.49 -0.090443168
|
||||
123000 0.0005456223 0 0.00054556773 0.56376875 103595.49 -0.090277114
|
||||
124000 0.00054080131 0 0.00054074723 0.563306 103595.49 -0.091297668
|
||||
125000 0.00054597 0 0.0005459154 0.56387718 103595.49 -0.091522394
|
||||
126000 0.000544669 0 0.00054461453 0.56318185 103595.49 -0.091100523
|
||||
127000 0.00054592361 0 0.00054586902 0.56328758 103595.49 -0.091299714
|
||||
128000 0.00056246325 0 0.000562407 0.56296852 103595.49 -0.091491356
|
||||
129000 0.00057655488 0 0.00057649723 0.56242057 103595.49 -0.091474584
|
||||
130000 0.00060363901 0 0.00060357864 0.56182729 103595.49 -0.091367782
|
||||
131000 0.00060590757 0 0.00060584698 0.56115572 103595.49 -0.090594163
|
||||
132000 0.00061689139 0 0.0006168297 0.56029248 103595.49 -0.089857939
|
||||
133000 0.00063288773 0 0.00063282444 0.55971427 103595.49 -0.08954619
|
||||
134000 0.00064153654 0 0.00064147238 0.55929877 103595.49 -0.089860563
|
||||
135000 0.00065473169 0 0.00065466622 0.5590797 103595.49 -0.089932375
|
||||
136000 0.0006814182 0 0.00068135006 0.55797116 103595.49 -0.08929097
|
||||
137000 0.00068344911 0 0.00068338077 0.55796657 103595.49 -0.089644888
|
||||
138000 0.00071510067 0 0.00071502916 0.55752379 103595.49 -0.089734088
|
||||
139000 0.00074772787 0 0.0007476531 0.55740054 103595.49 -0.089968295
|
||||
140000 0.00072706311 0 0.0007269904 0.55659113 103595.49 -0.090370844
|
||||
141000 0.0007179286 0 0.00071785681 0.55659012 103595.49 -0.089976688
|
||||
142000 0.00072587657 0 0.00072580399 0.55589037 103595.49 -0.090532153
|
||||
143000 0.00074470967 0 0.0007446352 0.55553128 103595.49 -0.091019969
|
||||
144000 0.00071737422 0 0.00071730248 0.55555994 103595.49 -0.090926005
|
||||
145000 0.00070363824 0 0.00070356787 0.55548936 103595.49 -0.0912353
|
||||
146000 0.00069604487 0 0.00069597527 0.55540516 103595.49 -0.091656715
|
||||
147000 0.00070047196 0 0.00070040191 0.55466746 103595.49 -0.092101291
|
||||
148000 0.00069764904 0 0.00069757927 0.55460283 103595.49 -0.092334573
|
||||
149000 0.00068884707 0 0.00068877819 0.55462796 103595.49 -0.0928736
|
||||
150000 0.00067704593 0 0.00067697823 0.55520015 103595.49 -0.093512131
|
||||
151000 0.00067702275 0 0.00067695505 0.55530068 103595.49 -0.094127311
|
||||
152000 0.000690717 0 0.00069064792 0.55432538 103595.49 -0.094248615
|
||||
153000 0.00067758953 0 0.00067752177 0.55460446 103595.49 -0.094839924
|
||||
154000 0.00067748542 0 0.00067741767 0.55532529 103595.49 -0.095832411
|
||||
155000 0.00068723442 0 0.0006871657 0.55637763 103595.49 -0.096838207
|
||||
156000 0.00071590663 0 0.00071583504 0.5569485 103595.49 -0.097686166
|
||||
157000 0.00078378647 0 0.0007837081 0.55755381 103595.49 -0.097968527
|
||||
158000 0.00080144334 0 0.00080136319 0.55741023 103595.49 -0.098119361
|
||||
159000 0.00079183165 0 0.00079175247 0.55756142 103595.49 -0.097925888
|
||||
160000 0.00081212358 0 0.00081204237 0.55669124 103595.49 -0.098171108
|
||||
161000 0.00082903843 0 0.00082895553 0.55608918 103595.49 -0.097827206
|
||||
162000 0.00084257416 0 0.0008424899 0.5560239 103595.49 -0.096775743
|
||||
163000 0.00086279615 0 0.00086270987 0.55550215 103595.49 -0.095981927
|
||||
164000 0.00092139657 0 0.00092130443 0.55395137 103595.49 -0.095215338
|
||||
165000 0.00095519936 0 0.00095510384 0.55376787 103595.49 -0.0945666
|
||||
166000 0.00092201276 0 0.00092192056 0.55373794 103595.49 -0.093531233
|
||||
167000 0.0008525194 0 0.00085243415 0.55375862 103595.49 -0.09389901
|
||||
168000 0.00081977785 0 0.00081969587 0.5536646 103595.49 -0.093829746
|
||||
169000 0.00079692467 0 0.00079684497 0.55416599 103595.49 -0.094433271
|
||||
170000 0.00077787798 0 0.0007778002 0.55416629 103595.49 -0.095043413
|
||||
171000 0.0007651362 0 0.00076505969 0.55418872 103595.49 -0.095212376
|
||||
172000 0.00074631438 0 0.00074623975 0.55403881 103595.49 -0.095463949
|
||||
173000 0.00074431288 0 0.00074423845 0.55415801 103595.49 -0.095319615
|
||||
174000 0.00073924649 0 0.00073917257 0.55373682 103595.49 -0.094724272
|
||||
175000 0.00070973165 0 0.00070966068 0.55393569 103595.49 -0.094201112
|
||||
176000 0.00069820766 0 0.00069813784 0.55341229 103595.49 -0.093530469
|
||||
177000 0.00070922657 0 0.00070915564 0.55282781 103595.49 -0.093282587
|
||||
178000 0.00073688566 0 0.00073681197 0.55223248 103595.49 -0.092190554
|
||||
179000 0.00072455886 0 0.0007244864 0.55244288 103595.49 -0.09182393
|
||||
180000 0.00071894558 0 0.00071887369 0.55281517 103595.49 -0.092177032
|
||||
181000 0.00071752475 0 0.000717453 0.55297293 103595.49 -0.09230934
|
||||
182000 0.00072247421 0 0.00072240196 0.55287294 103595.49 -0.092465908
|
||||
183000 0.00070596821 0 0.00070589761 0.5526242 103595.49 -0.092013313
|
||||
184000 0.00072460909 0 0.00072453663 0.55230817 103595.49 -0.092211243
|
||||
185000 0.00072499917 0 0.00072492667 0.55273387 103595.49 -0.092920761
|
||||
186000 0.00072852698 0 0.00072845413 0.55358929 103595.49 -0.093428623
|
||||
187000 0.00072515668 0 0.00072508417 0.55336733 103595.49 -0.093440126
|
||||
188000 0.00071355728 0 0.00071348593 0.55408468 103595.49 -0.094819333
|
||||
189000 0.00071703212 0 0.00071696042 0.55424355 103595.49 -0.096198144
|
||||
190000 0.00071808849 0 0.00071801668 0.55504118 103595.49 -0.097199842
|
||||
191000 0.00072458142 0 0.00072450896 0.55493515 103595.49 -0.097564772
|
||||
192000 0.00071472504 0 0.00071465357 0.55572657 103595.49 -0.097663072
|
||||
193000 0.00070803966 0 0.00070796886 0.55546116 103595.49 -0.097306162
|
||||
194000 0.00068236077 0 0.00068229254 0.55581155 103595.49 -0.097141594
|
||||
195000 0.00067304613 0 0.00067297882 0.55559507 103595.49 -0.096646489
|
||||
196000 0.00066680808 0 0.0006667414 0.55512029 103595.49 -0.096241456
|
||||
197000 0.00065829161 0 0.00065822578 0.55545375 103595.49 -0.095808778
|
||||
198000 0.0006617611 0 0.00066169492 0.55551074 103595.49 -0.095423531
|
||||
199000 0.00066805655 0 0.00066798975 0.55581298 103595.49 -0.095287337
|
||||
200000 0.00067263902 0 0.00067257175 0.55601669 103595.49 -0.095551006
|
||||
Loop time of 145.127 on 4 procs for 200000 steps with 10000 atoms
|
||||
|
||||
Performance: 555175.163 tau/day, 1285.128 timesteps/s
|
||||
Performance: 595339.507 tau/day, 1378.101 timesteps/s
|
||||
100.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 28.939 | 48.992 | 61.808 | 189.4 | 62.96
|
||||
Neigh | 0.22765 | 0.31872 | 0.38751 | 10.9 | 0.41
|
||||
Comm | 3.53 | 16.362 | 36.515 | 328.8 | 21.03
|
||||
Output | 0.0046275 | 0.0064601 | 0.008626 | 1.8 | 0.01
|
||||
Modify | 5.0862 | 8.3128 | 10.255 | 74.1 | 10.68
|
||||
Other | | 3.821 | | | 4.91
|
||||
Pair | 57.89 | 91.946 | 113.82 | 229.7 | 63.36
|
||||
Neigh | 0.34276 | 0.48607 | 0.56708 | 13.1 | 0.33
|
||||
Comm | 6.569 | 28.916 | 63.505 | 417.0 | 19.92
|
||||
Output | 0.0087178 | 0.011935 | 0.01563 | 2.3 | 0.01
|
||||
Modify | 10.432 | 16.495 | 20.378 | 97.7 | 11.37
|
||||
Other | | 7.272 | | | 5.01
|
||||
|
||||
Nlocal: 2500.00 ave 3016 max 1605 min
|
||||
Nlocal: 2500.00 ave 2990 max 1652 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 0 2
|
||||
Nghost: 221.500 ave 273 max 176 min
|
||||
Histogram: 1 0 0 1 0 1 0 0 0 1
|
||||
Neighs: 8616.00 ave 10377 max 5447 min
|
||||
Nghost: 228.000 ave 254 max 198 min
|
||||
Histogram: 1 0 1 0 0 0 0 0 0 2
|
||||
Neighs: 8611.25 ave 10364 max 5676 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 0 2
|
||||
|
||||
Total # of neighbors = 34464
|
||||
Ave neighs/atom = 3.4464000
|
||||
Neighbor list builds = 153
|
||||
Total # of neighbors = 34445
|
||||
Ave neighs/atom = 3.4445000
|
||||
Neighbor list builds = 241
|
||||
Dangerous builds = 0
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
Total wall time: 0:01:17
|
||||
Total wall time: 0:02:25
|
||||
|
||||
Reference in New Issue
Block a user