LAMMPS (2 Aug 2023 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Reading data file ... triclinic box = (0 0 0) to (67.22973 101.8467 22.170598) with tilt (0 -0.4579729 0) 1 by 2 by 1 MPI processor grid reading atoms ... 10080 atoms reading velocities ... 10080 velocities read_data CPU = 2.623 seconds Changing box ... triclinic box = (0 0 0) to (67.22973 101.8467 22.170598) with tilt (0 -0.4579729 0) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM Project: doi:10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_601539325066_000#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 8.1981926 ghost atom cutoff = 8.1981926 binsize = 4.0990963, bins = 17 25 6 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 7.523 | 7.523 | 7.523 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 10080 0 3192.1228 -58124.522 0 -58124.522 151804.88 4002.9407 2531.9955 3041.4321 782.41907 51.879087 111.90799 1 10080 0 3278.0951 -58125.898 0 -58125.898 151804.88 4075.2193 2598.7546 3160.3114 789.87678 47.821704 100.73432 2 10080 0 3357.5207 -58126.805 0 -58126.805 151804.88 4155.6046 2668.8543 3248.1032 802.26826 48.525948 96.536916 3 10080 0 3396.8064 -58127.288 0 -58127.288 151804.88 4194.9116 2698.9843 3296.5232 811.05962 49.743619 95.299324 4 10080 0 3396.1073 -58127.622 0 -58127.622 151804.88 4193.2223 2689.7521 3305.3476 819.68944 54.275049 95.90642 5 10080 0 3397.4622 -58128.001 0 -58128.001 151804.88 4210.925 2688.8099 3292.6517 840.57157 63.370085 97.824632 6 10080 0 3430.4941 -58128.245 0 -58128.245 151804.88 4258.4259 2717.3873 3315.6691 859.83795 71.514822 94.96243 7 10080 0 3438.7646 -58128.388 0 -58128.388 151804.88 4261.2987 2719.4092 3335.586 858.48525 71.714921 93.025437 8 10080 0 3436.3705 -58128.505 0 -58128.505 151804.88 4260.5042 2714.8509 3333.7565 859.43313 71.960996 92.441798 9 10080 0 3409.1193 -58128.579 0 -58128.579 151804.88 4237.0411 2686.8827 3303.4342 860.85693 71.787629 91.908077 10 10080 0 3368.4356 -58128.717 0 -58128.717 151804.88 4202.6675 2640.5674 3262.0719 864.91035 70.997742 89.84396 11 10080 0 3369.9606 -58128.836 0 -58128.836 151804.88 4205.8169 2636.1283 3267.9365 867.72063 70.223796 87.995621 12 10080 0 3377.8031 -58128.949 0 -58128.949 151804.88 4221.4488 2638.3018 3273.6587 873.71571 69.119997 85.898969 13 10080 0 3371.0684 -58129.081 0 -58129.081 151804.88 4227.4597 2626.9939 3258.7515 883.03878 67.413927 84.524608 14 10080 0 3372.0473 -58129.356 0 -58129.356 151804.88 4276.0415 2607.8709 3232.2294 937.13391 63.748615 83.09516 15 10080 0 3386.2377 -58129.425 0 -58129.425 151804.88 4313.4916 2616.983 3228.2385 972.60166 65.821577 83.625386 16 10080 0 3369.4492 -58129.657 0 -58129.657 151804.88 4305.3585 2597.1277 3205.8612 978.10182 68.340133 86.348744 17 10080 0 3364.0677 -58129.752 0 -58129.752 151804.88 4303.3441 2586.9947 3201.8644 981.31891 69.539867 88.586082 18 10080 0 3359.4707 -58129.808 0 -58129.808 151804.88 4299.7497 2578.5211 3200.1413 983.33846 69.81853 90.481564 19 10080 0 3349.9561 -58129.852 0 -58129.852 151804.88 4295.2743 2566.7532 3187.8407 987.11444 70.202357 93.2432 20 10080 0 3343.323 -58129.889 0 -58129.889 151804.88 4292.3218 2559.5891 3178.0582 989.94445 70.235035 94.419264 21 10080 0 3338.8377 -58129.932 0 -58129.932 151804.88 4294.4756 2550.2076 3171.83 998.44295 70.529991 98.315426 22 10080 0 3335.5694 -58130.005 0 -58130.005 151804.88 4304.5582 2539.7599 3162.3902 1016.7559 71.546813 105.68881 23 10080 0 3331.3837 -58130.082 0 -58130.082 151804.88 4319.9555 2527.3144 3146.8813 1044.6232 71.874288 113.10787 24 10080 0 3325.4432 -58130.154 0 -58130.154 151804.88 4321.9556 2518.347 3136.0269 1055.7279 71.345908 114.35609 25 10080 0 3326.77 -58130.23 0 -58130.23 151804.88 4335.22 2514.3926 3130.6974 1070.2219 71.024928 115.78228 26 10080 0 3332.3962 -58130.3 0 -58130.3 151804.88 4346.0698 2515.6951 3135.4236 1079.3172 70.694264 116.0113 27 10080 0 3332.7542 -58130.319 0 -58130.319 151804.88 4349.368 2515.6766 3133.218 1082.9227 70.693373 116.2294 28 10080 0 3334.5187 -58130.357 0 -58130.357 151804.88 4358.5607 2512.1505 3132.845 1094.6703 71.461464 118.06655 29 10080 0 3335.899 -58130.436 0 -58130.436 151804.88 4381.8096 2503.546 3122.3416 1125.7244 73.775141 123.7628 30 10080 0 3341.1066 -58130.509 0 -58130.509 151804.88 4408.5838 2496.1114 3118.6245 1158.2802 75.88137 129.19109 31 10080 0 3356.9358 -58130.609 0 -58130.609 151804.88 4466.2112 2488.2387 3116.3575 1222.0617 78.959882 139.13528 32 10080 0 3373.7912 -58130.731 0 -58130.731 151804.88 4525.7945 2480.4552 3115.1238 1291.8958 81.475291 148.39281 33 10080 0 3373.0585 -58130.792 0 -58130.792 151804.88 4535.7833 2474.1451 3109.2473 1306.6602 80.822994 148.74553 34 10080 0 3371.1472 -58130.857 0 -58130.857 151804.88 4542.5919 2466.7752 3104.0745 1314.043 78.841124 147.2015 35 10080 0 3370.4822 -58130.904 0 -58130.904 151804.88 4547.4372 2462.182 3101.8274 1317.3391 77.239811 145.41786 36 10080 0 3369.4854 -58130.925 0 -58130.925 151804.88 4552.8252 2458.1134 3097.5175 1319.1969 76.273579 143.93962 37 10080 0 3370.7076 -58130.936 0 -58130.936 151804.88 4561.3802 2454.8599 3095.8825 1321.1796 75.475595 142.13901 38 10080 0 3371.0004 -58130.951 0 -58130.951 151804.88 4562.7398 2453.2511 3097.0103 1321.5686 75.469281 141.62852 39 10080 0 3370.3819 -58130.959 0 -58130.959 151804.88 4564.1053 2451.452 3095.5885 1322.6288 75.605742 141.3926 40 10080 0 3369.7953 -58130.966 0 -58130.966 151804.88 4565.2087 2449.8233 3094.354 1323.0516 75.793454 141.28984 41 10080 0 3370.2995 -58130.972 0 -58130.972 151804.88 4567.5595 2447.9072 3095.432 1322.9941 76.201604 141.40019 42 10080 0 3369.4449 -58130.979 0 -58130.979 151804.88 4572.2672 2443.1544 3092.9131 1324.8114 77.045292 141.68668 43 10080 0 3368.2405 -58130.988 0 -58130.988 151804.88 4575.685 2438.3463 3090.6903 1326.6183 77.775737 141.69058 44 10080 0 3367.9693 -58130.995 0 -58130.995 151804.88 4575.6695 2437.2444 3090.9941 1326.7295 77.732812 141.49879 45 10080 0 3367.45 -58130.998 0 -58130.998 151804.88 4576.1187 2436.4568 3089.7745 1327.2173 77.600653 141.3729 46 10080 0 3367.3439 -58131.004 0 -58131.004 151804.88 4577.5007 2434.869 3089.662 1327.4203 77.397897 140.9733 47 10080 0 3366.9766 -58131.011 0 -58131.011 151804.88 4581.2437 2431.8787 3087.8073 1329.091 77.164195 140.48699 48 10080 0 3367.1238 -58131.015 0 -58131.015 151804.88 4585.3679 2429.0194 3086.9842 1330.7922 76.980989 139.88196 49 10080 0 3367.0362 -58131.019 0 -58131.019 151804.88 4585.8183 2428.2337 3087.0566 1330.9523 77.046068 139.77033 50 10080 0 3366.7519 -58131.026 0 -58131.026 151804.88 4587.8331 2426.4121 3086.0104 1332.3134 77.429044 139.87334 51 10080 0 3367.1949 -58131.031 0 -58131.031 151804.88 4589.5461 2425.3252 3086.7135 1332.8823 77.675885 139.89352 52 10080 0 3367.6236 -58131.036 0 -58131.036 151804.88 4594.3582 2422.7201 3085.7924 1335.1524 78.013687 140.03378 53 10080 0 3369.8125 -58131.044 0 -58131.044 151804.88 4606.2701 2417.0254 3086.142 1340.6166 78.672623 140.21108 54 10080 0 3371.9889 -58131.061 0 -58131.061 151804.88 4623.3397 2407.3951 3085.2318 1350.1927 79.449894 140.13843 55 10080 0 3370.4105 -58131.077 0 -58131.077 151804.88 4631.0791 2400.1261 3080.0262 1355.4716 79.332394 139.58408 56 10080 0 3371.9125 -58131.103 0 -58131.103 151804.88 4650.2821 2386.7859 3078.6697 1365.0856 78.708092 138.16011 57 10080 0 3373.6961 -58131.121 0 -58131.121 151804.88 4661.5806 2380.9339 3078.5736 1370.5764 78.664852 137.95194 58 10080 0 3373.9257 -58131.133 0 -58131.133 151804.88 4666.0267 2378.5232 3077.2273 1372.7942 78.63059 137.8856 59 10080 0 3374.1324 -58131.137 0 -58131.137 151804.88 4667.1684 2377.9723 3077.2566 1373.6588 78.729873 137.83296 60 10080 0 3374.0739 -58131.138 0 -58131.138 151804.88 4668.2745 2377.4526 3076.4946 1374.4498 78.749123 137.93008 61 10080 0 3374.5658 -58131.139 0 -58131.139 151804.88 4670.3728 2376.6037 3076.7208 1375.4232 78.736956 138.05484 62 10080 0 3375.1623 -58131.14 0 -58131.14 151804.88 4672.6846 2375.8055 3076.9967 1376.6002 78.730665 138.20719 63 10080 0 3375.1801 -58131.142 0 -58131.142 151804.88 4673.2184 2375.5805 3076.7413 1377.1278 78.705273 138.24278 64 10080 0 3375.5462 -58131.143 0 -58131.143 151804.88 4674.3601 2375.281 3076.9976 1377.9253 78.614434 138.30749 65 10080 0 3376.4477 -58131.144 0 -58131.144 151804.88 4677.8677 2374.3529 3077.1227 1380.142 78.451645 138.63395 66 10080 0 3377.8076 -58131.146 0 -58131.146 151804.88 4683.3238 2372.5742 3077.525 1383.3763 78.226763 139.03406 67 10080 0 3378.7514 -58131.15 0 -58131.15 151804.88 4688.9304 2370.1618 3077.1622 1387.1554 78.11598 139.4218 68 10080 0 3380.7375 -58131.157 0 -58131.157 151804.88 4701.0865 2365.1202 3076.0057 1395.3978 77.900533 140.26703 69 10080 0 3382.9089 -58131.163 0 -58131.163 151804.88 4709.9903 2362.4473 3076.2889 1401.0105 77.735829 140.79243 70 10080 0 3386.9884 -58131.169 0 -58131.169 151804.88 4725.4369 2358.2316 3077.2967 1410.2504 77.445128 141.69851 71 10080 0 3389.5741 -58131.171 0 -58131.171 151804.88 4735.1761 2355.5101 3078.0359 1416.1267 77.240527 142.18987 72 10080 0 3389.2712 -58131.174 0 -58131.174 151804.88 4735.3685 2354.7517 3077.6933 1416.4222 77.196054 142.15866 73 10080 0 3388.3617 -58131.177 0 -58131.177 151804.88 4735.0458 2353.3162 3076.7231 1416.4648 77.120212 142.02013 74 10080 0 3388.1843 -58131.177 0 -58131.177 151804.88 4735.075 2352.9882 3076.4898 1416.5314 77.056794 141.94054 75 10080 0 3388.4255 -58131.178 0 -58131.178 151804.88 4735.3958 2353.1773 3076.7035 1416.6398 77.01008 141.89255 76 10080 0 3388.5175 -58131.178 0 -58131.178 151804.88 4735.7277 2353.0927 3076.732 1416.759 76.979381 141.85936 77 10080 0 3388.789 -58131.179 0 -58131.179 151804.88 4737.501 2352.2783 3076.5878 1417.3216 76.828491 141.59933 78 10080 0 3389.0352 -58131.179 0 -58131.179 151804.88 4739.5288 2351.1104 3076.4663 1417.9491 76.667702 141.33502 79 10080 0 3388.5742 -58131.181 0 -58131.181 151804.88 4740.3355 2349.5728 3075.8143 1418.1787 76.635125 141.20241 80 10080 0 3388.2984 -58131.181 0 -58131.181 151804.88 4741.0102 2348.5265 3075.3584 1418.4125 76.609247 141.11082 81 10080 0 3388.3468 -58131.183 0 -58131.183 151804.88 4742.8949 2347.0841 3075.0614 1419.0411 76.609331 141.03275 82 10080 0 3388.7206 -58131.183 0 -58131.183 151804.88 4744.0644 2346.8677 3075.2298 1419.3037 76.608156 141.02409 83 10080 0 3389.0013 -58131.184 0 -58131.184 151804.88 4744.7357 2346.7616 3075.5064 1419.4045 76.575912 141.01048 84 10080 0 3389.1884 -58131.184 0 -58131.184 151804.88 4745.8305 2346.2739 3075.4609 1419.7695 76.528962 141.03174 85 10080 0 3389.3756 -58131.185 0 -58131.185 151804.88 4747.6426 2345.2281 3075.256 1420.4886 76.438127 140.99792 86 10080 0 3389.7876 -58131.186 0 -58131.186 151804.88 4750.6926 2343.4543 3075.2159 1421.6827 76.300527 140.91889 87 10080 0 3390.3968 -58131.187 0 -58131.187 151804.88 4755.8347 2340.616 3074.7396 1423.7568 76.075979 140.88227 88 10080 0 3393.7458 -58131.192 0 -58131.192 151804.88 4778.4285 2328.57 3074.2389 1432.5545 75.163455 140.80364 89 10080 0 3396.9534 -58131.195 0 -58131.195 151804.88 4799.8145 2317.5264 3073.5193 1441.3452 74.410261 140.80645 90 10080 0 3397.0245 -58131.199 0 -58131.199 151804.88 4802.1222 2315.992 3072.9592 1442.4714 74.394185 140.81873 91 10080 0 3397.1801 -58131.2 0 -58131.2 151804.88 4802.3566 2315.9167 3073.2669 1442.5401 74.37883 140.82581 92 10080 0 3397.2216 -58131.2 0 -58131.2 151804.88 4802.6492 2315.9015 3073.1141 1442.6976 74.376561 140.8435 93 10080 0 3397.3819 -58131.201 0 -58131.201 151804.88 4802.9738 2315.8824 3073.2895 1442.8147 74.34962 140.83439 94 10080 0 3397.7688 -58131.201 0 -58131.201 151804.88 4803.9538 2315.8239 3073.5285 1443.3835 74.186228 140.77541 95 10080 0 3397.8477 -58131.201 0 -58131.201 151804.88 4804.1587 2315.8139 3073.5705 1443.5097 74.151198 140.76651 96 10080 0 3397.8333 -58131.201 0 -58131.201 151804.88 4804.1915 2315.7802 3073.5283 1443.5669 74.137777 140.77 97 10080 0 3397.8487 -58131.201 0 -58131.201 151804.88 4804.2914 2315.754 3073.5008 1443.7106 74.101498 140.76443 98 10080 0 3397.8686 -58131.201 0 -58131.201 151804.88 4804.3567 2315.7423 3073.5069 1443.7751 74.083481 140.76263 99 10080 0 3398.0028 -58131.201 0 -58131.201 151804.88 4804.8315 2315.6639 3073.5129 1444.2247 73.952686 140.76657 100 10080 0 3398.1173 -58131.201 0 -58131.201 151804.88 4805.163 2315.6027 3073.5863 1444.5127 73.878215 140.77691 101 10080 0 3398.5095 -58131.201 0 -58131.201 151804.88 4806.4253 2315.3716 3073.7316 1445.5725 73.616748 140.83016 102 10080 0 3398.622 -58131.201 0 -58131.201 151804.88 4806.8401 2315.2835 3073.7425 1445.9097 73.531309 140.85906 103 10080 0 3398.6336 -58131.202 0 -58131.202 151804.88 4806.9044 2315.259 3073.7375 1445.9543 73.526724 140.8658 104 10080 0 3398.7542 -58131.202 0 -58131.202 151804.88 4807.4188 2315.0822 3073.7615 1446.2887 73.484324 140.92026 105 10080 0 3398.9442 -58131.202 0 -58131.202 151804.88 4808.0989 2314.8889 3073.8448 1446.7218 73.403456 140.98336 106 10080 0 3399.077 -58131.202 0 -58131.202 151804.88 4808.5909 2314.7445 3073.8958 1447.0296 73.331102 141.02638 107 10080 0 3399.1888 -58131.202 0 -58131.202 151804.88 4809.1226 2314.557 3073.8868 1447.3958 73.2527 141.05222 108 10080 0 3399.7865 -58131.202 0 -58131.202 151804.88 4811.5689 2313.7045 3074.0862 1449.0227 72.861712 141.17278 109 10080 0 3399.922 -58131.202 0 -58131.202 151804.88 4812.1171 2313.5269 3074.1221 1449.3863 72.776848 141.19983 110 10080 0 3399.9554 -58131.202 0 -58131.202 151804.88 4812.2671 2313.5161 3074.0829 1449.4853 72.760739 141.20784 111 10080 0 3400.0006 -58131.202 0 -58131.202 151804.88 4812.4083 2313.4827 3074.1108 1449.5474 72.740982 141.21837 112 10080 0 3400.025 -58131.202 0 -58131.202 151804.88 4812.543 2313.4314 3074.1005 1449.6284 72.738356 141.22283 113 10080 0 3400.1059 -58131.202 0 -58131.202 151804.88 4812.936 2313.2606 3074.121 1449.8229 72.703339 141.23712 114 10080 0 3400.2399 -58131.202 0 -58131.202 151804.88 4813.6352 2312.9618 3074.1227 1450.1663 72.625064 141.26298 115 10080 0 3400.5008 -58131.202 0 -58131.202 151804.88 4814.7577 2312.5172 3074.2276 1450.6724 72.46956 141.28109 116 10080 0 3400.787 -58131.202 0 -58131.202 151804.88 4816.1172 2311.9813 3074.2626 1451.3166 72.279375 141.28142 117 10080 0 3400.8078 -58131.202 0 -58131.202 151804.88 4816.2151 2311.9415 3074.2669 1451.3638 72.265408 141.28104 118 10080 0 3400.8102 -58131.202 0 -58131.202 151804.88 4816.2257 2311.9353 3074.2695 1451.3696 72.263605 141.27966 119 10080 0 3400.8107 -58131.202 0 -58131.202 151804.88 4816.2283 2311.9339 3074.2699 1451.3711 72.26315 141.27934 120 10080 0 3400.8112 -58131.202 0 -58131.202 151804.88 4816.2309 2311.9325 3074.2702 1451.3726 72.262693 141.27902 121 10080 0 3400.8112 -58131.202 0 -58131.202 151804.88 4816.231 2311.9324 3074.2702 1451.3727 72.262665 141.27901 122 10080 0 3400.8112 -58131.202 0 -58131.202 151804.88 4816.2311 2311.9324 3074.2702 1451.3727 72.262661 141.279 123 10080 0 3400.8112 -58131.202 0 -58131.202 151804.88 4816.2311 2311.9324 3074.2702 1451.3727 72.262661 141.279 Loop time of 6.15085 on 2 procs for 123 steps with 10080 atoms 98.1% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -58124.5218812553 -58131.2024456744 -58131.2024456744 Force two-norm initial, final = 4.3861432 0.022420542 Force max component initial, final = 0.47957465 0.0013696249 Final line search alpha, max atom move = 1.5258789e-05 2.0898817e-08 Iterations, force evaluations = 123 477 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 5.8517 | 5.8519 | 5.8521 | 0.0 | 95.14 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.25328 | 0.25337 | 0.25347 | 0.0 | 4.12 Output | 0.0092258 | 0.01012 | 0.011014 | 0.9 | 0.16 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.03546 | | | 0.58 Nlocal: 5040 ave 5040 max 5040 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 9400 ave 9403 max 9397 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 711624 ave 711632 max 711616 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 1423248 Ave neighs/atom = 141.19524 Neighbor list builds = 0 Dangerous builds = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 8.1981926 ghost atom cutoff = 8.1981926 binsize = 4.0990963, bins = 17 25 6 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 123 WARNING: Energy due to 6 extra global DOFs will be included in minimizer energies (src/min.cpp:225) Per MPI rank memory allocation (min/avg/max) = 7.523 | 7.523 | 7.523 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 123 10080 0 3400.8112 -58131.202 0 -58131.202 151804.88 4816.2311 2311.9324 3074.2702 1451.3727 72.262661 141.279 124 10080 0 2806.3764 -58131.272 0 -58131.272 151837.04 4181.0018 1752.0633 2486.064 1446.1961 50.658107 117.70231 125 10080 0 2241.9225 -58131.328 0 -58131.328 151867.61 3571.3213 1225.9233 1928.5227 1440.6164 32.760051 95.797518 126 10080 0 1714.4787 -58131.373 0 -58131.373 151896.21 2993.1281 741.44789 1408.86 1434.4629 18.593144 75.669848 127 10080 0 1233.6203 -58131.407 0 -58131.407 151922.31 2454.5897 309.46446 936.80687 1427.6362 8.1963984 57.453115 128 10080 0 811.97054 -58131.433 0 -58131.433 151945.21 1966.3845 -55.82347 525.35059 1419.7774 1.5188963 41.313059 129 10080 0 465.6793 -58131.454 0 -58131.454 151964.03 1542.2407 -336.22301 191.02015 1410.3687 -1.726922 27.431438 130 10080 0 212.45273 -58131.473 0 -58131.473 151977.78 1197.2464 -511.96266 -47.925568 1398.5923 -2.2268498 16.116319 131 10080 0 63.52273 -58131.492 0 -58131.492 151985.86 941.17607 -570.78786 -179.82002 1383.3116 -1.1808713 7.6968306 132 10080 0 6.6708209 -58131.511 0 -58131.511 151988.92 764.06066 -527.27717 -216.77103 1363.0823 -0.039947345 2.3567385 133 10080 0 0.21527439 -58131.528 0 -58131.528 151989.23 650.50134 -445.45562 -204.3999 1340.6222 0.34487138 0.18656404 134 10080 0 -0.13844719 -58131.543 0 -58131.543 151989.22 557.99074 -370.96809 -187.438 1316.5513 0.43052988 -0.53760479 135 10080 0 -0.15225817 -58131.556 0 -58131.556 151989.19 478.69113 -307.63469 -171.51321 1290.9963 0.43734415 -0.6578326 136 10080 0 -0.16437377 -58131.568 0 -58131.568 151989.17 410.53537 -254.14991 -156.87859 1264.1244 0.38014899 -0.57357054 137 10080 0 -0.16370779 -58131.578 0 -58131.578 151989.14 352.08025 -209.10243 -143.46894 1236.1732 0.32562018 -0.45068615 138 10080 0 -0.1596757 -58131.587 0 -58131.587 151989.11 301.99361 -171.25536 -131.21728 1207.2674 0.30175423 -0.2923481 139 10080 0 -0.20432934 -58131.596 0 -58131.596 151989.09 259.11796 -139.62793 -120.10301 1177.5125 0.24172839 -0.16785865 140 10080 0 -0.23222286 -58131.604 0 -58131.604 151989.06 222.5773 -113.27239 -110.00158 1147.0327 0.21351907 -0.065668815 141 10080 0 -0.26910685 -58131.612 0 -58131.612 151989.04 191.42655 -91.420655 -100.81321 1115.8781 0.16126572 0.029072888 142 10080 0 -0.27107754 -58131.619 0 -58131.619 151989.01 165.00378 -73.330723 -92.48629 1084.1848 0.16075089 0.10270924 143 10080 0 -0.30928326 -58131.626 0 -58131.626 151988.98 142.57619 -58.533882 -84.970157 1051.9794 0.1249787 0.16712926 144 10080 0 -0.2972301 -58131.633 0 -58131.633 151988.95 123.63733 -46.38385 -78.145174 1019.3378 0.096374602 0.23266268 145 10080 0 -0.32109157 -58131.64 0 -58131.64 151988.92 107.64316 -36.570414 -72.036025 986.32317 0.088115801 0.26219255 146 10080 0 -0.32425943 -58131.646 0 -58131.646 151988.89 94.170887 -28.628043 -66.515622 952.98882 0.044590988 0.30241236 147 10080 0 -0.29792899 -58131.652 0 -58131.652 151988.86 82.860869 -22.23691 -61.517745 919.39913 0.073960906 0.32533193 148 10080 0 -0.32044153 -58131.657 0 -58131.657 151988.83 73.31713 -17.210453 -57.068001 885.57676 0.0085242092 0.32462552 149 10080 0 -0.26484301 -58131.663 0 -58131.663 151988.8 65.357369 -13.182099 -52.969799 851.56093 0.064018055 0.34617283 150 10080 0 -0.28626368 -58131.668 0 -58131.668 151988.78 58.591729 -10.106588 -49.343933 817.37436 -0.0020137615 0.31742474 151 10080 0 -0.25312011 -58131.673 0 -58131.673 151988.75 52.906329 -7.6717867 -45.993903 783.05286 0.055829125 0.34881438 152 10080 0 -0.24962572 -58131.678 0 -58131.678 151988.72 48.044273 -5.8294667 -42.963684 748.59882 -0.034185531 0.31297462 153 10080 0 -0.24079498 -58131.682 0 -58131.682 151988.69 43.884255 -4.4494884 -40.157151 714.03493 0.097910137 0.3514813 154 10080 0 -0.18974296 -58131.686 0 -58131.686 151988.66 40.338496 -3.3471914 -37.560533 679.42474 -0.136401 0.26489522 155 10080 0 -0.2046987 -58131.691 0 -58131.691 151988.64 37.156791 -2.5957659 -35.175121 644.74141 0.2657244 0.41844627 156 10080 0 -0.15386971 -58131.694 0 -58131.694 151988.61 34.399137 -1.9704602 -32.890286 609.996 -0.47438336 0.080728042 157 10080 0 -0.16998251 -58131.698 0 -58131.698 151988.59 31.821391 -1.5804148 -30.750924 575.21321 1.0000604 0.7079971 158 10080 0 -0.12968445 -58131.701 0 -58131.701 151988.57 29.554981 -1.22843 -28.715604 540.39286 -2.2270945 -0.70808648 159 10080 0 -0.12097523 -58131.704 0 -58131.704 151988.55 27.266951 -0.99929477 -26.630582 505.55633 5.459606 2.6519812 160 10080 0 -0.091626931 -58131.707 0 -58131.707 151988.52 25.518991 -0.79396749 -24.999904 470.74195 -14.647809 -6.2199996 161 10080 0 -0.09638417 -58131.71 0 -58131.71 151988.51 22.639351 -0.69034715 -22.238156 435.72576 43.319086 19.227924 162 10080 0 -0.058701717 -58131.712 0 -58131.712 151988.49 22.252742 -0.54471948 -21.884127 401.06788 -57.240771 -24.91263 163 10080 0 -0.061313467 -58131.714 0 -58131.714 151988.47 19.77049 -0.45661354 -19.497817 366.10732 -19.544146 -8.3864064 164 10080 0 -0.023270308 -58131.716 0 -58131.716 151988.46 16.39389 -0.35818191 -16.105519 330.98512 79.78435 35.155628 165 10080 0 -0.069242855 -58131.718 0 -58131.718 151988.44 15.155275 -0.3542492 -15.008754 296.16255 37.513215 16.590983 166 10080 0 -0.061203026 -58131.718 0 -58131.718 151988.44 15.279083 -0.35068016 -15.112012 294.00966 22.794388 10.131544 167 10080 0 -0.018807186 -58131.719 0 -58131.719 151988.43 15.489711 -0.29989272 -15.24624 276.72491 -49.27484 -21.487525 168 10080 0 0.02939561 -58131.72 0 -58131.72 151988.42 13.186061 -0.18134453 -12.916529 241.78188 -16.027257 -6.8869697 169 10080 0 -0.10087235 -58131.721 0 -58131.721 151988.42 11.196122 -0.28977517 -11.208964 224.20728 45.581764 20.068 170 10080 0 -0.17411692 -58131.722 0 -58131.722 151988.41 9.81573 -0.32107941 -10.017001 189.38235 8.5265976 3.779907 171 10080 0 0.34378928 -58131.723 0 -58131.723 151988.37 10.037073 0.2073281 -9.2130334 172.01881 -33.274004 -14.448292 172 10080 0 0.16190131 -58131.723 0 -58131.723 151988.38 6.9293447 0.067477279 -6.511118 136.97071 34.980971 15.488546 173 10080 0 -0.25120692 -58131.724 0 -58131.724 151988.39 5.002739 -0.28695288 -5.4694069 102.13622 12.979012 5.795644 174 10080 0 -0.065993248 -58131.724 0 -58131.724 151988.38 5.3088534 -0.10931466 -5.3975185 99.99015 -1.7847201 -0.68910304 175 10080 0 0.84071753 -58131.724 0 -58131.724 151988.32 4.0496041 0.78081929 -2.3082708 65.039596 15.835803 6.6392693 176 10080 0 0.80115256 -58131.724 0 -58131.724 151988.32 4.0126506 0.74107472 -2.3502676 64.768242 14.725502 6.163143 177 10080 0 0.78152865 -58131.724 0 -58131.724 151988.32 3.9988892 0.72144233 -2.3757456 64.72596 14.204687 5.9405428 178 10080 0 0.77656804 -58131.724 0 -58131.724 151988.32 3.9953735 0.71648058 -2.38215 64.715 14.074488 5.8849177 179 10080 0 0.7753244 -58131.724 0 -58131.724 151988.32 3.9944897 0.71523672 -2.3837533 64.712235 14.041939 5.871013 180 10080 0 0.77470215 -58131.724 0 -58131.724 151988.32 3.9940472 0.71461436 -2.3845552 64.710849 14.025664 5.8640608 181 10080 0 0.77439091 -58131.724 0 -58131.724 151988.32 3.9938258 0.71430307 -2.3849562 64.710155 14.017527 5.8605848 182 10080 0 0.77439091 -58131.724 0 -58131.724 151988.32 3.9938258 0.71430307 -2.3849562 64.710155 14.017527 5.8605848 Loop time of 4.1422 on 2 procs for 59 steps with 10080 atoms 72.1% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -58131.2024456716 -58131.7241907119 -58131.7241907119 Force two-norm initial, final = 593.25282 7.537244 Force max component initial, final = 456.33385 6.1096355 Final line search alpha, max atom move = 1.2487479e-10 7.6293945e-10 Iterations, force evaluations = 59 156 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.7665 | 1.7743 | 1.7821 | 0.6 | 42.83 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.074689 | 0.082461 | 0.090233 | 2.7 | 1.99 Output | 0.0040896 | 0.0044591 | 0.0048286 | 0.6 | 0.11 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.281 | | | 55.07 Nlocal: 5040 ave 5048 max 5032 min Histogram: 1 0 0 0 0 0 0 0 0 1 Nghost: 9412 ave 9423 max 9401 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 710096 ave 710912 max 709280 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 1420192 Ave neighs/atom = 140.89206 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:24