Defaulting to ethernet No MPI process pinning No OMP Thread Affinity Starting MPD ring... /opt/pbs/default/bin/pbs_tmrsh cx1-1-11-4.cx1.hpc.ic.ac.uk -n /opt/pbs/default/bin/pbs_attach -j 3715149.cx1b /apps/intel/impi/5.1.1.109/compilers_and_libraries_2016.0.109/linux/mpi/bin/mpd -n -h cx1-1-11-4 -p 44685 --ncpus=1 -e -d PBS has allocated the following nodes: cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 cx1-1-11-4 --- mpiexec.intel -genv I_MPI_DEVICE ssm -genv I_MPI_DEBUG 0 -genv I_MPI_FALLBACK_DEVICE disable -genv DAPL_MAX_CM_RETRIES 500 -genv DAPL_MAX_CM_RESPONSE_TIME 300 -genv I_MPI_DAPL_CONNECTION_TIMEOUT 300 -genv I_MPI_PIN no -genv I_MPI_PIN_MODE none -machinefile /var/tmp/pbs.3715149.cx1b/tmp.PuXxEzCVJB -n 8 -wdir /home/scan-user-1/run/10027027 lammps Job output begins below ----------------------- LAMMPS (1 Feb 2014) Lattice spacing in x,y,z = 1.07722 1.07722 1.07722 Created orthogonal box = (0 0 0) to (16.1583 16.1583 16.1583) 2 by 2 by 2 MPI processor grid Created 3375 atoms Setting up run ... Memory usage per processor = 3.80753 Mbytes Time TotEng Temp Press 0 -3.0072831 1.6 0.7581769 0.025 -3.0118907 1.3714779 2.0051793 0.05 -3.0154909 0.89130436 4.5532077 0.075 -3.0185278 0.90023675 4.6183694 0.1 -3.0211361 1.0740621 3.7303779 0.125 -3.0232141 1.1469214 3.3173842 0.15 -3.0255446 1.2088112 2.9984332 0.175 -3.0274037 1.2698872 2.7093869 0.2 -3.0289866 1.3166568 2.5118459 0.225 -3.0302349 1.3282827 2.5039444 0.25 -3.0311706 1.3216666 2.5957222 0.275 -3.0315805 1.3069637 2.727119 0.3 -3.0318949 1.3119273 2.750209 0.325 -3.0319889 1.3273327 2.710851 0.35 -3.0318729 1.3240338 2.7591038 0.375 -3.0320046 1.3197758 2.8080812 0.4 -3.0321701 1.3146031 2.8540309 0.425 -3.0323376 1.3165565 2.8541988 0.45 -3.0324273 1.3224096 2.8331717 0.475 -3.0326072 1.3167257 2.8717435 0.5 -3.0324206 1.3024396 2.9493476 0.525 -3.0323215 1.3104051 2.9129574 0.55 -3.0323505 1.3281372 2.8328175 0.575 -3.032307 1.3176901 2.8937037 0.6 -3.0320794 1.3118121 2.9332809 0.625 -3.0320349 1.3020138 2.9843699 0.65 -3.0321709 1.3054008 2.9624093 0.675 -3.0322579 1.330293 2.8352827 0.7 -3.0322685 1.3329631 2.8217789 0.725 -3.032483 1.3183028 2.8967425 0.75 -3.0325945 1.3227098 2.8771641 0.775 -3.0325461 1.3329626 2.829431 0.8 -3.0323717 1.3159292 2.9145541 0.825 -3.0323321 1.3145815 2.9207441 0.85 -3.0323438 1.3267498 2.8551798 0.875 -3.0322911 1.3335876 2.8183453 0.9 -3.0324284 1.3319475 2.8317144 0.925 -3.0324704 1.3260955 2.8738605 0.95 -3.0327123 1.3135307 2.9447179 0.975 -3.0328652 1.3231162 2.9003898 1 -3.0327446 1.3351228 2.8442456 1.025 -3.0324868 1.3240672 2.908635 1.05 -3.0324372 1.3101911 2.989054 1.075 -3.032533 1.3113523 2.9804464 1.1 -3.0325356 1.3355535 2.8433953 1.125 -3.0327026 1.3523289 2.7454388 1.15 -3.0327215 1.3408069 2.7992102 1.175 -3.0327559 1.326839 2.8750956 1.2 -3.0326063 1.3118411 2.9521412 1.225 -3.0326792 1.323896 2.8909677 1.25 -3.0324841 1.3321815 2.8444555 1.275 -3.0324658 1.3328516 2.8356869 1.3 -3.0324196 1.3261264 2.8551643 1.325 -3.0323133 1.3246039 2.8471428 1.35 -3.0325193 1.3236709 2.8470515 1.375 -3.0325305 1.3163556 2.8906409 1.4 -3.0324615 1.3152334 2.9043996 1.425 -3.0327162 1.3305686 2.834626 1.45 -3.0327673 1.3341104 2.829443 1.475 -3.0326735 1.3236866 2.9021489 1.5 -3.0325378 1.3142052 2.9679597 1.525 -3.0325572 1.317003 2.9674741 1.55 -3.0326261 1.3080843 3.0132886 1.575 -3.0326624 1.3141607 2.9851187 1.6 -3.0327843 1.3136193 2.9890312 1.625 -3.0327553 1.315171 2.9825104 1.65 -3.0328778 1.3117643 2.9935938 1.675 -3.0328461 1.3156091 2.9672199 1.7 -3.0328984 1.3247007 2.9154848 1.725 -3.0329934 1.3252539 2.9080026 1.75 -3.0329116 1.3318861 2.8809568 1.775 -3.0327795 1.3134146 2.9778565 1.8 -3.0327073 1.3154289 2.9692375 1.825 -3.0328004 1.3259877 2.8959457 1.85 -3.0326387 1.3384096 2.8087278 1.875 -3.0326201 1.3313535 2.824794 1.9 -3.0325049 1.3322047 2.8149663 1.925 -3.0324934 1.3359103 2.7991341 1.95 -3.0323493 1.3215831 2.8755039 1.975 -3.032367 1.3207647 2.8822712 2 -3.0324364 1.3267537 2.8491947 2.025 -3.0321195 1.3231402 2.8627007 2.05 -3.0320634 1.3233561 2.8660193 2.075 -3.0319567 1.3142505 2.9188009 2.1 -3.032134 1.3126344 2.930817 2.125 -3.032284 1.3197532 2.8909162 2.15 -3.0322096 1.3282361 2.8389168 2.175 -3.0322289 1.3328705 2.8057978 2.2 -3.0322157 1.3297925 2.8185468 2.225 -3.0322809 1.3326193 2.8147884 2.25 -3.0323474 1.3384334 2.7994449 2.275 -3.0322054 1.3349398 2.8306061 2.3 -3.0321855 1.317511 2.9290259 2.325 -3.0321192 1.3158323 2.9494298 2.35 -3.0321027 1.3150116 2.951365 2.375 -3.0322464 1.3147044 2.9373502 2.4 -3.032207 1.3193588 2.901985 2.425 -3.0323782 1.3219694 2.8923734 2.45 -3.0324657 1.3072592 2.9771199 2.475 -3.0323014 1.3044566 2.9984192 2.5 -3.032519 1.322737 2.9020276 2.525 -3.0326684 1.3219924 2.892448 2.55 -3.0328351 1.3212978 2.8929367 2.575 -3.0328577 1.3109618 2.9492138 2.6 -3.0327488 1.3202665 2.906417 2.625 -3.0326529 1.3365111 2.822026 2.65 -3.0327228 1.3261544 2.8675746 2.675 -3.0325996 1.327082 2.8657464 2.7 -3.0325701 1.3236504 2.8882714 2.725 -3.0325292 1.3255612 2.8820997 2.75 -3.032632 1.3317751 2.8507933 2.775 -3.0324301 1.3282716 2.8661287 2.8 -3.0322528 1.3173204 2.9183813 2.825 -3.0322352 1.3087801 2.960286 2.85 -3.0323473 1.3093289 2.9533821 2.875 -3.0324149 1.3299414 2.8514654 2.9 -3.0324339 1.3371576 2.8357076 2.925 -3.032217 1.3107088 2.9895368 2.95 -3.0325135 1.3206137 2.9576324 2.975 -3.0324953 1.3129574 2.9931236 3 -3.0325676 1.3236823 2.9318695 3.025 -3.0325112 1.3300827 2.8846504 3.05 -3.0326025 1.3236887 2.8975953 3.075 -3.0327382 1.3332306 2.8421262 3.1 -3.0326611 1.3298591 2.8635943 3.125 -3.0326655 1.321682 2.9150205 3.15 -3.0326175 1.3203934 2.9216406 3.175 -3.0325836 1.3229604 2.895529 3.2 -3.0325688 1.3270746 2.8630309 3.225 -3.0325756 1.3323276 2.8376066 3.25 -3.0325102 1.3231365 2.8910104 3.275 -3.0324024 1.3119099 2.9546598 3.3 -3.032418 1.312749 2.9458342 3.325 -3.0327157 1.3289845 2.8495678 3.35 -3.0325519 1.3313774 2.818642 3.375 -3.0326392 1.3361497 2.7906285 3.4 -3.0325397 1.3203422 2.8772811 3.425 -3.0324349 1.316544 2.9084843 3.45 -3.0324928 1.3280791 2.8587571 3.475 -3.0324667 1.3307687 2.8595518 3.5 -3.0323346 1.3102887 2.9701374 3.525 -3.0325105 1.3076393 2.9800281 3.55 -3.0323869 1.3044198 2.9774109 3.575 -3.032251 1.3181567 2.8938763 3.6 -3.0321986 1.3198896 2.8735035 3.625 -3.0321468 1.3117224 2.9059887 3.65 -3.0322167 1.3214043 2.8482124 3.675 -3.032109 1.3384955 2.7546152 3.7 -3.0321689 1.3335458 2.7796516 3.725 -3.0324469 1.3285144 2.8162513 3.75 -3.0327119 1.3333749 2.8095264 3.775 -3.0328181 1.3138318 2.9239962 3.8 -3.032682 1.2940512 3.0323897 3.825 -3.0326874 1.3045918 2.9713071 3.85 -3.0326238 1.3330415 2.8174592 3.875 -3.0323405 1.3178176 2.8761949 3.9 -3.0321461 1.3363686 2.7720623 3.925 -3.0322381 1.34297 2.7268614 3.95 -3.0322169 1.3292922 2.7894316 3.975 -3.0320197 1.3290006 2.7891212 4 -3.0321556 1.3342363 2.7615612 4.025 -3.0321248 1.3421648 2.735636 4.05 -3.0320916 1.3253816 2.8384764 4.075 -3.0322942 1.3189801 2.8893052 4.1 -3.0324547 1.3127692 2.9280355 4.125 -3.0324414 1.3187727 2.8895376 4.15 -3.032543 1.3394799 2.7710151 4.175 -3.0326661 1.3388576 2.7638892 4.2 -3.0324938 1.3364499 2.7785519 4.225 -3.0325592 1.3299681 2.8196747 4.25 -3.0323559 1.3255607 2.8585353 4.275 -3.0324768 1.3201678 2.9030102 4.3 -3.0326216 1.3250372 2.8950973 4.325 -3.0326616 1.3353385 2.8590715 4.35 -3.0327074 1.327843 2.9060557 4.375 -3.0328474 1.3264583 2.9148975 4.4 -3.0328435 1.3313804 2.8903851 4.425 -3.0329017 1.3266742 2.9188401 4.45 -3.0328847 1.3138119 2.9834596 4.475 -3.0327353 1.309775 2.9885451 4.5 -3.0327404 1.3283502 2.8774427 4.525 -3.0324059 1.3219124 2.8939312 4.55 -3.0324021 1.3261747 2.8712639 4.575 -3.0324225 1.3249303 2.8729344 4.6 -3.0323602 1.3214867 2.8737048 4.625 -3.0323869 1.3443456 2.7470668 4.65 -3.0324554 1.3443678 2.7436586 4.675 -3.0322312 1.3334852 2.803635 4.7 -3.0323126 1.3365812 2.7951214 4.725 -3.0323753 1.3376321 2.800715 4.75 -3.0323395 1.324302 2.8859673 4.775 -3.0323342 1.3038492 3.0058859 4.8 -3.0324203 1.319576 2.9463519 4.825 -3.0324012 1.3086806 3.0121044 4.85 -3.0326291 1.2977091 3.0717011 4.875 -3.0328479 1.3204171 2.9539551 4.9 -3.0329443 1.3285928 2.9048585 4.925 -3.0329145 1.3199592 2.9448058 4.95 -3.0328056 1.3202015 2.9444154 4.975 -3.0326693 1.3118334 2.9881829 5 -3.0325932 1.286414 3.1122196 5.025 -3.0326776 1.2936092 3.0732233 5.05 -3.0326137 1.3137704 2.9642901 5.075 -3.0323791 1.3189342 2.9326069 5.1 -3.0325057 1.3109816 2.9740064 5.125 -3.0322989 1.3077111 2.9969448 5.15 -3.032313 1.3063251 3.0085049 5.175 -3.0322721 1.3124678 2.9835806 5.2 -3.0323692 1.3146926 2.9701245 5.225 -3.0326197 1.325576 2.9097338 5.25 -3.0324261 1.3198419 2.9294516 5.275 -3.0324765 1.3147706 2.9460107 5.3 -3.0325028 1.3246956 2.8903538 5.325 -3.0325128 1.3267097 2.874546 5.35 -3.0327511 1.3255174 2.8863464 5.375 -3.0331151 1.3183655 2.9371474 5.4 -3.0330659 1.305015 3.0131581 5.425 -3.0329824 1.3053982 3.0046054 5.45 -3.0329923 1.3261626 2.8837767 5.475 -3.0329123 1.3277457 2.8625773 5.5 -3.0329602 1.3182615 2.9100151 5.525 -3.0328048 1.3127853 2.9432678 5.55 -3.032792 1.3095429 2.9610593 5.575 -3.0328064 1.3178238 2.9218517 5.6 -3.0327216 1.318062 2.9250474 5.625 -3.032794 1.3121805 2.9563838 5.65 -3.0328027 1.3122158 2.9560105 5.675 -3.0325827 1.3124625 2.9461884 5.7 -3.032561 1.3236808 2.8780494 5.725 -3.0325065 1.3287817 2.8461487 5.75 -3.0325828 1.3337053 2.8223469 5.775 -3.0324675 1.3259689 2.8569795 5.8 -3.0324896 1.3185821 2.8892831 5.825 -3.0324535 1.3199745 2.8783011 5.85 -3.0326323 1.3299989 2.8276211 5.875 -3.0324969 1.3302702 2.8316226 5.9 -3.0324258 1.3283318 2.8524179 5.925 -3.0325638 1.3216116 2.8953771 5.95 -3.0326151 1.3162042 2.9270532 5.975 -3.0327127 1.3192666 2.9107081 6 -3.032757 1.3205612 2.9009262 6.025 -3.0327999 1.3245203 2.8819964 6.05 -3.0328359 1.3237009 2.8899186 6.075 -3.0326253 1.3210377 2.903741 6.1 -3.0327275 1.3288843 2.8628283 6.125 -3.0325244 1.3285577 2.866506 6.15 -3.0324745 1.3158966 2.9347819 6.175 -3.0326014 1.3100992 2.9727203 6.2 -3.0324608 1.3062641 2.9945203 6.225 -3.0324594 1.3036847 3.0076345 6.25 -3.0325668 1.2915448 3.0710017 6.275 -3.0325442 1.2910984 3.078986 6.3 -3.0325205 1.3029756 3.0155054 6.325 -3.0326891 1.3208859 2.9070709 6.35 -3.0326983 1.3412795 2.7845711 6.375 -3.0325782 1.3341755 2.7994259 6.4 -3.0324183 1.3340303 2.7904343 6.425 -3.0324933 1.3426777 2.754552 6.45 -3.032426 1.3237498 2.8687577 6.475 -3.0326261 1.307579 2.9667607 6.5 -3.0325862 1.3094672 2.9604844 6.525 -3.0325097 1.3213504 2.8981979 6.55 -3.0324033 1.3195559 2.8993069 6.575 -3.0324128 1.3206354 2.8825029 6.6 -3.0324397 1.3256359 2.8500945 6.625 -3.0324593 1.3244792 2.855052 6.65 -3.0324354 1.3320317 2.8264507 6.675 -3.032481 1.3271045 2.8654861 6.7 -3.0324723 1.3172045 2.9323526 6.725 -3.0324015 1.3040291 3.006528 6.75 -3.0324306 1.3085912 2.9754205 6.775 -3.0323634 1.3317111 2.8383405 6.8 -3.0323828 1.3453837 2.7532101 6.825 -3.0323058 1.332552 2.8216053 6.85 -3.0323934 1.3115127 2.9449291 6.875 -3.0323533 1.3129988 2.9565307 6.9 -3.032268 1.3129088 2.9676848 6.925 -3.0326103 1.30692 3.0018213 6.95 -3.032627 1.3140417 2.9635127 6.975 -3.0325353 1.3275229 2.8912296 7 -3.0325504 1.3200513 2.9300162 7.025 -3.03246 1.2969216 3.0488355 7.05 -3.0321563 1.2983706 3.0368787 7.075 -3.0321802 1.3118411 2.9479256 7.1 -3.0321807 1.3250911 2.861549 7.125 -3.0320094 1.3315599 2.8201215 7.15 -3.0323366 1.3304891 2.8281031 7.175 -3.0321324 1.3152182 2.9110205 7.2 -3.032177 1.3152639 2.9147853 7.225 -3.0322458 1.3149577 2.9089583 7.25 -3.0320546 1.3132571 2.9032883 7.275 -3.031971 1.328356 2.8149677 7.3 -3.0320692 1.3370458 2.7655561 7.325 -3.0321303 1.3287815 2.8164359 7.35 -3.0321443 1.3204419 2.8719714 7.375 -3.0321652 1.3243513 2.8575717 7.4 -3.0321959 1.3286563 2.8341582 7.425 -3.0322975 1.3383796 2.7954979 7.45 -3.0323973 1.3178006 2.9133927 7.475 -3.0324375 1.3091072 2.9747122 7.5 -3.0324045 1.3077958 2.9882353 7.525 -3.032541 1.3131284 2.9646738 7.55 -3.0324089 1.3207135 2.9217403 7.575 -3.0327542 1.331996 2.8533831 7.6 -3.0325023 1.319247 2.9051765 7.625 -3.0324475 1.310484 2.9517082 7.65 -3.0325493 1.3127541 2.9546412 7.675 -3.0325857 1.3232797 2.9151293 7.7 -3.0324871 1.3277617 2.8958583 7.725 -3.0324098 1.3293786 2.8898846 7.75 -3.0323563 1.3177716 2.951406 7.775 -3.03255 1.3119126 2.9816899 7.8 -3.0326566 1.3260926 2.9055727 7.825 -3.0326062 1.3317183 2.8606603 7.85 -3.0326598 1.3363929 2.8223282 7.875 -3.0327535 1.3463816 2.770754 7.9 -3.0327868 1.336445 2.8266139 7.925 -3.0326214 1.3196933 2.9241062 7.95 -3.0326822 1.3259709 2.9097923 7.975 -3.0325792 1.3209521 2.9321794 8 -3.0324796 1.3375652 2.8319938 8.025 -3.0323537 1.3525074 2.7354235 8.05 -3.0321888 1.3457569 2.7638158 8.075 -3.0322997 1.3326843 2.8420991 8.1 -3.0322844 1.3305037 2.8751422 8.125 -3.0323263 1.3131553 2.9684234 8.15 -3.0322169 1.3245922 2.9058682 8.175 -3.0323162 1.333105 2.853575 8.2 -3.0323381 1.331483 2.8569755 8.225 -3.0323633 1.3327942 2.8477267 8.25 -3.0324612 1.3248538 2.8839223 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-3.0321279 1.3257447 2.8544392 18.5 -3.0322689 1.3170214 2.9035729 18.525 -3.0321053 1.3190827 2.9068647 18.55 -3.0321301 1.3169757 2.9229428 18.575 -3.0323933 1.3208238 2.9026264 18.6 -3.0323138 1.3297385 2.8540982 18.625 -3.0324376 1.3277635 2.858954 18.65 -3.0325444 1.3177834 2.9057698 18.675 -3.0326764 1.330649 2.8450549 18.7 -3.0326453 1.335256 2.821666 18.725 -3.0326672 1.3229485 2.875356 18.75 -3.0327821 1.3315943 2.8238357 18.775 -3.032549 1.3355221 2.7905409 18.8 -3.0325043 1.3407151 2.7611851 18.825 -3.0323868 1.3260204 2.8351211 18.85 -3.0324933 1.3244939 2.8489135 18.875 -3.0324413 1.3316932 2.8278288 18.9 -3.0324574 1.3167725 2.9236313 18.925 -3.0321457 1.3080887 2.9869953 18.95 -3.0321981 1.3115735 2.9776052 18.975 -3.0322588 1.309884 2.9833796 19 -3.0322786 1.3202201 2.9248611 19.025 -3.0321358 1.3312149 2.8604623 19.05 -3.032336 1.3329183 2.8469685 19.075 -3.0324489 1.3281106 2.8709587 19.1 -3.0323783 1.3184779 2.917866 19.125 -3.0322026 1.3098995 2.9502855 19.15 -3.0323839 1.3208681 2.877201 19.175 -3.0323546 1.3251506 2.8359818 19.2 -3.0324783 1.3245037 2.8314284 19.225 -3.0326294 1.3270059 2.8311378 19.25 -3.0326642 1.3228644 2.8705331 19.275 -3.0328302 1.3325888 2.8403754 19.3 -3.0328239 1.32875 2.8724778 19.325 -3.0325376 1.3190436 2.9281337 19.35 -3.0326076 1.3209711 2.9217168 19.375 -3.0325997 1.3133046 2.963028 19.4 -3.0324807 1.3061409 3.0019991 19.425 -3.0323728 1.3072523 2.9937731 19.45 -3.0326424 1.315456 2.9479119 19.475 -3.0325195 1.3188209 2.9330595 19.5 -3.0328024 1.3074717 2.9959145 19.525 -3.0325074 1.2990564 3.0441992 19.55 -3.0325277 1.3111317 2.9829772 19.575 -3.0324462 1.3157991 2.9545298 19.6 -3.032443 1.3002852 3.0191849 19.625 -3.0325272 1.3087062 2.9573772 19.65 -3.0328603 1.3301725 2.8306544 19.675 -3.0330167 1.3223521 2.8635152 19.7 -3.0328885 1.3137535 2.9186058 19.725 -3.03277 1.3130915 2.9354288 19.75 -3.0327757 1.319625 2.9092263 19.775 -3.0326404 1.3118677 2.9374777 19.8 -3.0326844 1.3271345 2.8492717 19.825 -3.0330534 1.3471721 2.7451555 19.85 -3.0328754 1.3400708 2.7820689 19.875 -3.0327063 1.3325666 2.8218282 19.9 -3.0326182 1.3204843 2.8808883 19.925 -3.0324761 1.3070912 2.9430374 19.95 -3.0325185 1.3202129 2.8786899 19.975 -3.0326672 1.3264233 2.8571717 20 -3.0327681 1.3144829 2.9262924 20.025 -3.0324033 1.3114553 2.9477846 20.05 -3.032432 1.3153608 2.9322073 20.075 -3.0322511 1.3119451 2.9500385 20.1 -3.0322629 1.313667 2.939656 20.125 -3.0321119 1.3174599 2.9155827 20.15 -3.0322917 1.314636 2.9211959 20.175 -3.0321534 1.3230054 2.8689277 20.2 -3.0320847 1.336241 2.7960662 20.225 -3.0322016 1.3315915 2.825965 20.25 -3.0321855 1.3043669 2.9727933 20.275 -3.0323008 1.3082785 2.9593833 20.3 -3.0325655 1.3248624 2.8741273 20.325 -3.0326038 1.335975 2.8163285 20.35 -3.0326392 1.3441643 2.7776454 20.375 -3.0324438 1.3297844 2.8529883 20.4 -3.0323835 1.3260513 2.8825099 20.425 -3.0324095 1.3277805 2.8881521 20.45 -3.0323632 1.3257125 2.9190657 20.475 -3.0323318 1.3140585 2.995079 20.5 -3.0326297 1.3134864 3.0126059 20.525 -3.0326909 1.3024849 3.0731704 20.55 -3.0329115 1.3083902 3.0418263 20.575 -3.0327318 1.3159585 2.993231 20.6 -3.032876 1.3240191 2.937862 20.625 -3.0327825 1.3339423 2.8731944 20.65 -3.0328281 1.3320826 2.8704445 20.675 -3.032811 1.328706 2.8902289 20.7 -3.032987 1.3260167 2.9117887 20.725 -3.0329465 1.3281197 2.9089298 20.75 -3.0329935 1.3198582 2.9545078 20.775 -3.0329196 1.3093365 3.0053432 20.8 -3.0329596 1.3023487 3.0241561 20.825 -3.0329536 1.3229864 2.9030888 20.85 -3.0329253 1.3289337 2.8602076 20.875 -3.0327063 1.3249773 2.8783803 20.9 -3.0326613 1.3134013 2.9357659 20.925 -3.0327487 1.3198773 2.9030449 20.95 -3.0326022 1.325028 2.8729947 20.975 -3.0324804 1.3299765 2.8453851 21 -3.0324051 1.3342859 2.8264561 21.025 -3.0322977 1.3248551 2.8802467 21.05 -3.0322376 1.3303189 2.8631739 21.075 -3.0322694 1.3323158 2.858874 21.1 -3.032306 1.3155628 2.9463541 21.125 -3.0325621 1.3112183 2.9675584 21.15 -3.0325567 1.3219087 2.9054133 21.175 -3.0326353 1.3260281 2.8792005 21.2 -3.0326615 1.313048 2.9436151 21.225 -3.0326568 1.3134628 2.9379254 21.25 -3.0325991 1.330344 2.8510336 21.275 -3.0324635 1.321799 2.8974534 21.3 -3.0324652 1.3046767 2.9929265 21.325 -3.0327074 1.3121951 2.9570269 21.35 -3.0327944 1.3354281 2.8347824 21.375 -3.0327112 1.3320377 2.8501065 21.4 -3.0326951 1.3216052 2.9106272 21.425 -3.0325997 1.321584 2.9242786 21.45 -3.0325648 1.3112471 2.976033 21.475 -3.0326715 1.3257111 2.8993379 21.5 -3.032683 1.3279369 2.8787402 21.525 -3.0325361 1.316887 2.9209964 21.55 -3.0324958 1.3206812 2.8847351 21.575 -3.0324818 1.3273948 2.8317827 21.6 -3.0324044 1.333838 2.7863218 21.625 -3.0326494 1.3375008 2.7617122 21.65 -3.032551 1.3247492 2.8253924 21.675 -3.0325907 1.3238574 2.8374021 21.7 -3.0325683 1.3151203 2.883881 21.725 -3.0326839 1.3226573 2.8483832 21.75 -3.032539 1.3181989 2.8660056 21.775 -3.0324194 1.3226214 2.8449753 21.8 -3.0325102 1.3162286 2.8745505 21.825 -3.0324664 1.3179859 2.8698359 21.85 -3.0325429 1.3145742 2.897056 21.875 -3.0324968 1.3079844 2.9384975 21.9 -3.0325317 1.3139515 2.9059833 21.925 -3.0327176 1.3457022 2.7443787 21.95 -3.0326769 1.3437717 2.7605958 21.975 -3.0326016 1.322372 2.8910873 22 -3.0324722 1.3050244 3.0068756 22.025 -3.0326398 1.2919413 3.0865715 22.05 -3.032722 1.2995227 3.0435466 22.075 -3.0325438 1.3149576 2.9529393 22.1 -3.0325639 1.3246736 2.8922229 22.125 -3.0325621 1.3308167 2.8543813 22.15 -3.032426 1.3187041 2.9165092 22.175 -3.032482 1.3080528 2.9776243 22.2 -3.0323894 1.3107784 2.9758099 22.225 -3.0324802 1.3145335 2.9678055 22.25 -3.0325337 1.3264075 2.9177787 22.275 -3.0325367 1.3236589 2.9355264 22.3 -3.0325088 1.307898 3.0050201 22.325 -3.032501 1.3185218 2.9321602 22.35 -3.032543 1.3302003 2.8570339 22.375 -3.0326314 1.3352303 2.8356568 22.4 -3.0327812 1.3218083 2.9209257 22.425 -3.0326795 1.3115904 2.9950282 22.45 -3.032753 1.3137172 2.9922165 22.475 -3.0327803 1.324563 2.9291808 22.5 -3.0328134 1.3230928 2.922951 22.525 -3.0327065 1.3125258 2.9633196 22.55 -3.0327008 1.3194267 2.9167684 22.575 -3.0328545 1.3257603 2.8755639 22.6 -3.0327153 1.3142876 2.9248579 22.625 -3.0326302 1.3171414 2.9021248 22.65 -3.0326112 1.3358128 2.8054047 22.675 -3.0325547 1.3293235 2.8350264 22.7 -3.0328504 1.3276362 2.8381658 22.725 -3.0327384 1.3382168 2.7866001 22.75 -3.0326959 1.3223547 2.8779549 22.775 -3.0326512 1.3008805 3.0039198 22.8 -3.0326802 1.3059059 2.9963095 22.825 -3.0327481 1.3137889 2.966226 22.85 -3.0326932 1.3277887 2.8964752 22.875 -3.032463 1.3330877 2.859794 22.9 -3.0323968 1.3234171 2.8975279 22.925 -3.0323819 1.3231424 2.8897685 22.95 -3.0324742 1.32897 2.8547622 22.975 -3.0324679 1.3254464 2.8716166 23 -3.0325008 1.3276791 2.8646688 23.025 -3.0325138 1.3230234 2.9008935 23.05 -3.0323651 1.3068027 2.9957472 23.075 -3.0326274 1.3214645 2.9392307 23.1 -3.0324811 1.3119253 2.9924157 23.125 -3.0325684 1.3128265 2.9884502 23.15 -3.0324531 1.3297235 2.8943713 23.175 -3.0324058 1.341065 2.8267275 23.2 -3.0324005 1.3204602 2.9155246 23.225 -3.0324737 1.3213636 2.8964237 23.25 -3.0324936 1.335274 2.8136724 23.275 -3.0324072 1.3422449 2.778748 23.3 -3.0325127 1.3349804 2.822545 23.325 -3.0323867 1.3253694 2.8761983 23.35 -3.0323787 1.3256601 2.87684 23.375 -3.0323166 1.3239049 2.8870726 23.4 -3.032429 1.3193283 2.9188393 23.425 -3.0325989 1.3137414 2.9554778 23.45 -3.0325927 1.3215106 2.9147824 23.475 -3.0325692 1.3245368 2.8863289 23.5 -3.0327864 1.3255984 2.8782873 23.525 -3.0326246 1.3085322 2.9695693 23.55 -3.0326046 1.3068526 2.9836383 23.575 -3.0323766 1.3099333 2.9661261 23.6 -3.0322784 1.3140563 2.9456662 23.625 -3.0322084 1.3111093 2.9607929 23.65 -3.0322161 1.3159269 2.9389009 23.675 -3.0324057 1.3182118 2.9331367 23.7 -3.0325653 1.3186766 2.9391218 23.725 -3.032567 1.3147292 2.9639711 23.75 -3.0325003 1.3050437 3.0108897 23.775 -3.0326133 1.3045602 3.0056873 23.8 -3.032507 1.3153317 2.9370389 23.825 -3.0323527 1.3234709 2.8770327 23.85 -3.0322292 1.3347624 2.8114984 23.875 -3.0323074 1.3335942 2.8211297 23.9 -3.0321562 1.3251575 2.8807841 23.925 -3.032269 1.3165763 2.9380063 23.95 -3.0323458 1.3194656 2.9258232 23.975 -3.0324569 1.3138539 2.9396472 24 -3.0323683 1.3156172 2.9088237 24.025 -3.0324331 1.3405836 2.7691579 24.05 -3.0324963 1.3345359 2.7989332 24.075 -3.032668 1.3150225 2.9136191 24.1 -3.0324596 1.3046376 2.9715782 24.125 -3.0325243 1.3213737 2.8780743 24.15 -3.032322 1.326058 2.8411518 24.175 -3.0322278 1.3266829 2.8332907 24.2 -3.0321999 1.3332306 2.8012037 24.225 -3.0321871 1.329593 2.8193135 24.25 -3.0320882 1.3186011 2.8762727 24.275 -3.0320807 1.3211099 2.869829 24.3 -3.0318719 1.329959 2.828662 24.325 -3.0320593 1.3370826 2.7990701 24.35 -3.0321463 1.3228864 2.8804337 24.375 -3.0322667 1.3223328 2.9002639 24.4 -3.0323739 1.3217707 2.9105929 24.425 -3.0322548 1.3222475 2.9063404 24.45 -3.0324327 1.3311672 2.8652871 24.475 -3.0322841 1.3180244 2.9364043 24.5 -3.032346 1.3185856 2.9438119 24.525 -3.0326212 1.313042 2.9739231 24.55 -3.0327438 1.309702 2.9836987 24.575 -3.0328763 1.3261632 2.8906538 24.6 -3.0328316 1.3239102 2.8997538 24.625 -3.0326861 1.3038022 3.0051294 24.65 -3.0326393 1.3072492 2.9905425 24.675 -3.0326337 1.3206702 2.9176039 24.7 -3.0325301 1.3257568 2.8818451 24.725 -3.0325164 1.3259897 2.8782845 24.75 -3.0323488 1.3203617 2.9089682 24.775 -3.0324741 1.3266684 2.878248 24.8 -3.032449 1.3209155 2.9048307 24.825 -3.0326004 1.3158108 2.9315568 24.85 -3.032745 1.307368 2.9717015 24.875 -3.0327346 1.3158437 2.9281042 24.9 -3.0327563 1.3306659 2.8562406 24.925 -3.0326411 1.3196654 2.9163378 24.95 -3.0325072 1.3058359 2.989955 24.975 -3.0327441 1.3213716 2.9106853 25 -3.0327136 1.3313292 2.8505241 Loop time of 10.6519 on 8 procs for 10000 steps with 3375 atoms Pair time (%) = 8.31612 (78.0717) Neigh time (%) = 0.311545 (2.92478) Comm time (%) = 1.72344 (16.1796) Outpt time (%) = 0.0324321 (0.304473) Other time (%) = 0.268363 (2.51939) Nlocal: 421.875 ave 435 max 415 min Histogram: 2 2 0 1 0 1 1 0 0 1 Nghost: 4286.38 ave 4301 max 4260 min Histogram: 1 0 1 0 1 0 1 0 1 3 Neighs: 88195.9 ave 93515 max 85188 min Histogram: 1 0 3 2 0 1 0 0 0 1 Total # of neighbors = 705567 Ave neighs/atom = 209.057 Neighbor list builds = 90 Dangerous builds = 0 Setting up run ... Memory usage per processor = 3.80753 Mbytes Time TotEng Temp Press 25 -3.0327136 1.3313292 2.8505241 25.025 -3.0294515 1.3300232 2.856458 25.05 -3.0199957 1.3349079 2.8624046 25.075 -3.0050815 1.3308727 2.9418439 25.1 -2.9879011 1.3297779 3.0127802 25.125 -2.9717473 1.3421878 2.9957629 25.15 -2.9581356 1.3550278 2.9536389 25.175 -2.9453836 1.3532468 2.970694 25.2 -2.9325215 1.3558258 2.9597615 25.225 -2.9180826 1.375457 2.8677536 25.25 -2.9027784 1.3821836 2.8466544 25.275 -2.8870082 1.3783974 2.8841125 25.3 -2.8711418 1.3736555 2.9284718 25.325 -2.8548689 1.3877176 2.8840656 25.35 -2.8386848 1.4007222 2.8443834 25.375 -2.8229215 1.4035231 2.8508905 25.4 -2.8070086 1.4075612 2.8513891 25.425 -2.7912485 1.4085654 2.8589792 25.45 -2.7754272 1.4249094 2.7925508 25.475 -2.7597273 1.4239336 2.8096976 25.5 -2.7443802 1.4124258 2.876483 25.525 -2.7290119 1.4074543 2.8956945 25.55 -2.7129879 1.443644 2.7050596 25.575 -2.6962794 1.4524255 2.6433868 25.6 -2.6800037 1.4514552 2.6396315 25.625 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1.588661 2.3996891 44.55 -2.0005933 1.602345 2.3548954 44.575 -1.9963594 1.6255429 2.2705329 44.6 -1.9927876 1.6252257 2.2902048 44.625 -1.9901228 1.6235224 2.3235521 44.65 -1.9880852 1.6114463 2.4016546 44.675 -1.9863805 1.6039172 2.4563542 44.7 -1.9845523 1.6058629 2.4636929 44.725 -1.9834247 1.6018297 2.4912169 44.75 -1.9823573 1.6007887 2.4967317 44.775 -1.9814552 1.6238104 2.3926325 44.8 -1.9809725 1.612773 2.4301084 44.825 -1.9807095 1.6202192 2.3886884 44.85 -1.981301 1.6304947 2.332942 44.875 -1.9828697 1.6219744 2.3614304 44.9 -1.9854109 1.6121975 2.3982325 44.925 -1.9888128 1.6002196 2.4382712 44.95 -1.9927335 1.585772 2.4759566 44.975 -1.9969731 1.5912547 2.4145105 45 -2.0021734 1.6019769 2.3296119 45.025 -2.0085952 1.5963466 2.3225099 45.05 -2.0165483 1.5858292 2.3429158 45.075 -2.0254822 1.5762103 2.3591111 45.1 -2.0348288 1.5732771 2.3435043 45.125 -2.0445949 1.5709361 2.3193412 45.15 -2.0538302 1.5638346 2.3146934 45.175 -2.0620416 1.5603477 2.2956112 45.2 -2.0692743 1.5590753 2.2676016 45.225 -2.0747785 1.5581866 2.2418542 45.25 -2.0790813 1.5675887 2.1802696 45.275 -2.0824079 1.5712648 2.1526282 45.3 -2.0844242 1.5711615 2.1536055 45.325 -2.0853764 1.5701577 2.1761503 45.35 -2.0853787 1.5652863 2.2306063 45.375 -2.0841761 1.5536809 2.3217277 45.4 -2.0815076 1.5528755 2.3666833 45.425 -2.0774597 1.5624591 2.3618503 45.45 -2.0719041 1.5572298 2.4236357 45.475 -2.0651196 1.558815 2.461882 45.5 -2.0566054 1.5830417 2.4037478 45.525 -2.0474477 1.6021146 2.3633302 45.55 -2.0381474 1.603765 2.3938242 45.575 -2.0289845 1.6069702 2.4165526 45.6 -2.019983 1.6125392 2.426109 45.625 -2.0118 1.6197771 2.4220493 45.65 -2.0043618 1.6138651 2.4706889 45.675 -1.9978698 1.6124491 2.5061726 45.7 -1.9917751 1.6069211 2.5658217 45.725 -1.9863451 1.6167254 2.5647451 45.75 -1.9816684 1.6091864 2.6398518 45.775 -1.9780742 1.6094387 2.6680405 45.8 -1.9750651 1.6345774 2.5693157 45.825 -1.9733233 1.6431222 2.5377369 45.85 -1.9726038 1.623436 2.6316224 45.875 -1.9732314 1.6257153 2.6307388 45.9 -1.9745292 1.6131242 2.6919114 45.925 -1.9765843 1.6053689 2.7252852 45.95 -1.9788304 1.6048672 2.7100048 45.975 -1.9813328 1.6017914 2.6881776 46 -1.9839114 1.6180872 2.5734036 46.025 -1.9870782 1.6319714 2.467893 46.05 -1.9907939 1.6324671 2.428897 46.075 -1.9953688 1.6416276 2.3661828 46.1 -2.0005308 1.6258835 2.4206842 46.125 -2.0059324 1.6071966 2.4877831 46.15 -2.0107874 1.608334 2.4599165 46.175 -2.0154388 1.6105655 2.4143601 46.2 -2.0197401 1.616407 2.3530753 46.225 -2.023783 1.5951129 2.4161723 46.25 -2.0275496 1.5896701 2.4143788 46.275 -2.0302635 1.5911366 2.3798242 46.3 -2.0326652 1.5990401 2.3278757 46.325 -2.034419 1.5807938 2.3995832 46.35 -2.0358102 1.5802875 2.3919373 46.375 -2.0364635 1.5916515 2.3231938 46.4 -2.0371917 1.61238 2.217797 46.425 -2.0378908 1.5912802 2.3113775 46.45 -2.0381413 1.568275 2.4218489 46.475 -2.0380337 1.5788587 2.3771826 46.5 -2.0371689 1.5915763 2.3246624 46.525 -2.0359861 1.5807631 2.3848246 46.55 -2.0342056 1.5732527 2.4332516 46.575 -2.0317995 1.5827592 2.400923 46.6 -2.0286841 1.5720735 2.4435245 46.625 -2.0251846 1.5794602 2.3990094 46.65 -2.0207821 1.5896461 2.3437941 46.675 -2.0162433 1.5903486 2.3416216 46.7 -2.0115863 1.586766 2.3610957 46.725 -2.0064527 1.5963281 2.3239366 46.75 -2.0012847 1.6118154 2.2664972 46.775 -1.9963886 1.6111894 2.293627 46.8 -1.9919353 1.5852522 2.4286766 46.825 -1.9875269 1.6001316 2.3750024 46.85 -1.9832236 1.6118093 2.3241362 46.875 -1.9793688 1.6287548 2.2524621 46.9 -1.9762002 1.6243254 2.2797232 46.925 -1.9738301 1.6166168 2.3281752 46.95 -1.9719705 1.6232998 2.3189694 46.975 -1.9705355 1.6145754 2.3800086 47 -1.9699505 1.6047313 2.4471667 47.025 -1.969605 1.5776666 2.5821796 47.05 -1.9690417 1.5848482 2.5697216 47.075 -1.9679119 1.5866142 2.5793235 47.1 -1.9667834 1.5930084 2.5661687 47.125 -1.9653201 1.5857184 2.5965887 47.15 -1.9635773 1.600819 2.5135542 47.175 -1.962088 1.629656 2.3637379 47.2 -1.9611551 1.6205231 2.3848778 47.225 -1.9607845 1.6092922 2.4194357 47.25 -1.9605152 1.6111021 2.3972232 47.275 -1.9606173 1.6132945 2.3780993 47.3 -1.9606594 1.5965345 2.4411787 47.325 -1.9608907 1.5973027 2.4232271 47.35 -1.9608362 1.6120118 2.3468727 47.375 -1.9604467 1.5988044 2.4033962 47.4 -1.9598142 1.5967765 2.4171471 47.425 -1.9583867 1.6070999 2.3748902 47.45 -1.9562628 1.5975784 2.4106949 47.475 -1.953148 1.623465 2.2983751 47.5 -1.9496331 1.6132887 2.3379369 47.525 -1.9457906 1.6060281 2.3676039 47.55 -1.941408 1.6160768 2.3301612 47.575 -1.9369813 1.6079256 2.3752424 47.6 -1.9324904 1.6140304 2.3598592 47.625 -1.9282228 1.6241825 2.3294126 47.65 -1.9240454 1.6138606 2.3871277 47.675 -1.9206129 1.6125891 2.3990441 47.7 -1.9169865 1.622671 2.3502238 47.725 -1.9138298 1.6297437 2.3097672 47.75 -1.9115171 1.6273479 2.3167986 47.775 -1.9102668 1.6227356 2.3371703 47.8 -1.9095152 1.6190139 2.3488552 47.825 -1.909312 1.6152222 2.360967 47.85 -1.9095133 1.6143575 2.3625992 47.875 -1.9099702 1.6319598 2.2855773 47.9 -1.9114146 1.6233287 2.3192744 47.925 -1.9136915 1.6127838 2.3615977 47.95 -1.9162162 1.6063311 2.3827136 47.975 -1.9190251 1.5924974 2.4329631 48 -1.9220972 1.599834 2.3961351 48.025 -1.9250671 1.6041675 2.3713845 48.05 -1.9281639 1.59134 2.4122596 48.075 -1.9313369 1.5947746 2.3725839 48.1 -1.9342451 1.6031421 2.3116093 48.125 -1.9373053 1.6040098 2.294132 48.15 -1.9405072 1.6025448 2.2935388 48.175 -1.9438933 1.5949739 2.3189517 48.2 -1.9476481 1.5926865 2.3234095 48.225 -1.9512662 1.5846334 2.3440759 48.25 -1.9544762 1.5834175 2.3278454 48.275 -1.9573425 1.5795456 2.3189551 48.3 -1.9595897 1.5821928 2.2838352 48.325 -1.9615965 1.5967558 2.2095639 48.35 -1.9634584 1.5953755 2.2140233 48.375 -1.9649316 1.5907631 2.2395624 48.4 -1.9663102 1.5845011 2.2736894 48.425 -1.9675377 1.5844068 2.2891122 48.45 -1.9681717 1.5756895 2.3476029 48.475 -1.9683355 1.5727876 2.3790609 48.5 -1.9678202 1.5742243 2.3836893 48.525 -1.9666231 1.5901292 2.3291036 48.55 -1.9645598 1.5727135 2.4230316 48.575 -1.961579 1.5737372 2.4319543 48.6 -1.9577263 1.6134401 2.2655445 48.625 -1.9534501 1.6070983 2.3032856 48.65 -1.9489548 1.5947869 2.3856964 48.675 -1.9438893 1.6022041 2.3945597 48.7 -1.9384386 1.5901926 2.4834289 48.725 -1.932312 1.6024053 2.4621279 48.75 -1.925459 1.6121755 2.4497135 48.775 -1.9186286 1.6124545 2.4800768 48.8 -1.9119915 1.6362837 2.4085826 48.825 -1.9057254 1.6535609 2.3604861 48.85 -1.9007152 1.6636848 2.3449078 48.875 -1.8973962 1.6612379 2.3871376 48.9 -1.8958759 1.6506864 2.4647657 48.925 -1.8959518 1.6365209 2.5596589 48.95 -1.897405 1.609524 2.6973829 48.975 -1.8995157 1.6158134 2.6649407 49 -1.9028802 1.6419541 2.5287693 49.025 -1.9080857 1.6354926 2.5284732 49.05 -1.914931 1.6377081 2.4885612 49.075 -1.9234855 1.6288426 2.4879961 49.1 -1.9333958 1.6329778 2.4347946 49.125 -1.9440876 1.6276348 2.4277845 49.15 -1.9553394 1.6161635 2.4556161 49.175 -1.9660598 1.6082398 2.4720986 49.2 -1.9755259 1.5968256 2.497605 49.225 -1.9836969 1.5825689 2.5203545 49.25 -1.9900504 1.5954763 2.4264003 49.275 -1.995314 1.6002806 2.3829179 49.3 -1.9995205 1.5965905 2.3917001 49.325 -2.0031932 1.5951426 2.3968407 49.35 -2.0062289 1.5960078 2.3935497 49.375 -2.0087032 1.5902587 2.4245012 49.4 -2.0107036 1.5751222 2.4937398 49.425 -2.0120668 1.5874624 2.4309317 49.45 -2.0129433 1.5950744 2.3770432 49.475 -2.0135539 1.5905423 2.3733457 49.5 -2.0136566 1.5992377 2.315103 49.525 -2.0141798 1.6179459 2.2182723 49.55 -2.0148713 1.6240476 2.1856343 49.575 -2.0161489 1.6189329 2.2128442 49.6 -2.0174755 1.6044495 2.2822444 49.625 -2.0191916 1.6073093 2.2745916 49.65 -2.0209352 1.5954196 2.3373708 49.675 -2.0226486 1.5762772 2.4367714 49.7 -2.0239178 1.5825423 2.4207797 49.725 -2.0247455 1.5951348 2.3756359 49.75 -2.0253272 1.577977 2.4644468 49.775 -2.0254195 1.5725346 2.5047118 49.8 -2.0246549 1.5810361 2.470032 49.825 -2.0234935 1.5965615 2.3926688 49.85 -2.0222039 1.6041138 2.3625283 49.875 -2.0206549 1.5793098 2.4836312 49.9 -2.0188486 1.5843599 2.4683546 49.925 -2.0163116 1.6031627 2.3853856 49.95 -2.0134497 1.6036548 2.3913924 49.975 -2.0101997 1.601105 2.4289652 50 -2.0064376 1.577416 2.5597251 Loop time of 10.0404 on 8 procs for 10000 steps with 3375 atoms Pair time (%) = 7.53926 (75.0888) Neigh time (%) = 0.379284 (3.77756) Comm time (%) = 1.53181 (15.2564) Outpt time (%) = 0.0264405 (0.26334) Other time (%) = 0.563658 (5.61387) Nlocal: 421.875 ave 437 max 409 min Histogram: 1 2 0 1 0 0 2 1 0 1 Nghost: 4024.5 ave 4051 max 4015 min Histogram: 2 3 1 0 1 0 0 0 0 1 Neighs: 79164.1 ave 83240 max 75385 min Histogram: 1 1 1 0 1 0 2 1 0 1 Total # of neighbors = 633313 Ave neighs/atom = 187.648 Neighbor list builds = 115 Dangerous builds = 0 Setting up run ... Memory usage per processor = 3.80753 Mbytes Step TotEng Temp Press Density 0 -2.0064376 1.577416 2.5597251 0.71867441 10 -2.0019624 1.5876595 2.5358801 0.71878847 20 -1.996287 1.6106188 2.4525048 0.71887867 30 -1.9903085 1.6162941 2.4496015 0.71895827 40 -1.9840224 1.6155851 2.481107 0.71902898 50 -1.9777566 1.612973 2.5160061 0.71908483 60 -1.9708974 1.6275264 2.4711243 0.71912084 70 -1.9645483 1.6317575 2.4667605 0.71914266 80 -1.9587035 1.6232524 2.5227369 0.71915141 90 -1.9534544 1.6107277 2.5969313 0.71913643 100 -1.9482823 1.6101708 2.6131637 0.71908483 110 -1.9434495 1.6290857 2.5367403 0.71899446 120 -1.939278 1.6326381 2.5258091 0.71887585 130 -1.9360581 1.6256942 2.5628366 0.71873112 140 -1.9336828 1.6363725 2.5196481 0.71855588 150 -1.9322354 1.6397712 2.5001608 0.71835506 160 -1.9321654 1.6427322 2.4782558 0.71813286 170 -1.9330926 1.6275515 2.5330159 0.71789156 180 -1.9353029 1.6161735 2.5698211 0.71762325 190 -1.9381313 1.6125851 2.561253 0.71731977 200 -1.9420075 1.6264485 2.4758162 0.7169841 210 -1.9468166 1.6286745 2.449898 0.71662959 220 -1.9528627 1.6194356 2.481781 0.716261 230 -1.9601156 1.5966499 2.5664167 0.71587209 240 -1.9681592 1.6016073 2.5170966 0.7154501 250 -1.9770362 1.609686 2.4449717 0.71500188 260 -1.9867208 1.5949176 2.4637297 0.71453947 270 -1.9970924 1.5901421 2.4305574 0.71406173 280 -2.0073452 1.5896605 2.381993 0.71357449 290 -2.0174642 1.5497301 2.5056998 0.71308309 300 -2.0264081 1.5461901 2.4684366 0.71257108 310 -2.0339009 1.5539423 2.3740032 0.71204276 320 -2.0400802 1.5596908 2.2951054 0.71151566 330 -2.0446135 1.5568187 2.2612465 0.71100417 340 -2.0481342 1.5554953 2.224644 0.71051578 350 -2.0503911 1.5648112 2.1505808 0.71005814 360 -2.0510206 1.5686644 2.1137972 0.70964402 370 -2.0506035 1.5602276 2.1416192 0.70928067 380 -2.0486632 1.5646591 2.1203675 0.70896497 390 -2.0450878 1.5694293 2.1116786 0.70870007 400 -2.0399648 1.5515811 2.2204656 0.70848572 410 -2.0330157 1.553613 2.2542009 0.70830557 420 -2.0238812 1.5513222 2.3002304 0.70815118 430 -2.0128845 1.5625321 2.2782701 0.70801618 440 -2.0004852 1.5731068 2.251836 0.70790309 450 -1.9879691 1.5964611 2.174819 0.70781813 460 -1.9768995 1.6004618 2.1897177 0.7077733 470 -1.967551 1.586007 2.2852378 0.70776619 480 -1.9601665 1.5933981 2.2821304 0.70778255 490 -1.9544123 1.6001162 2.281837 0.70782111 500 -1.9497417 1.5901434 2.3506195 0.70788077 510 -1.9458274 1.5825447 2.3896314 0.70795038 520 -1.9422084 1.6085645 2.2728271 0.70802531 530 -1.938993 1.6082856 2.2676814 0.70812218 540 -1.936146 1.6006608 2.3006403 0.7082442 550 -1.9337349 1.6100681 2.2630754 0.70838701 560 -1.9313348 1.613029 2.2601126 0.70855564 570 -1.9292336 1.605392 2.3040682 0.70875053 580 -1.9275192 1.6147196 2.2742357 0.70896619 590 -1.9262308 1.6191507 2.2761318 0.70920652 600 -1.9251386 1.6053388 2.3657456 0.70947003 610 -1.924429 1.6040287 2.3997818 0.70974301 620 -1.9238009 1.6118726 2.3840739 0.71001872 630 -1.9234518 1.6183949 2.3705383 0.71029892 640 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-2.0088005 1.5838996 2.5016943 0.71727845 99790 -1.9933294 1.6010813 2.5003728 0.71766909 99800 -1.9788059 1.612349 2.5131084 0.71803827 99810 -1.9661054 1.6319005 2.4773916 0.71838517 99820 -1.9561654 1.6336637 2.5149614 0.71871453 99830 -1.9489541 1.6202343 2.6218386 0.71901951 99840 -1.9438261 1.6244289 2.6421369 0.71928326 99850 -1.9400922 1.614618 2.7038622 0.71949878 99860 -1.93773 1.6197056 2.6902957 0.71965767 99870 -1.936541 1.6431288 2.5908949 0.71976332 99880 -1.9367614 1.6478433 2.5705247 0.71983115 99890 -1.9384079 1.6312815 2.6407371 0.71986498 99900 -1.9410383 1.6263399 2.6493008 0.71985438 99910 -1.9444279 1.643558 2.5490511 0.71979914 99920 -1.949018 1.6352695 2.5574565 0.71971399 99930 -1.9545215 1.6341595 2.5455206 0.71960072 99940 -1.9607625 1.6111736 2.6246168 0.71945851 99950 -1.9672274 1.5968816 2.6508937 0.71927564 99960 -1.9738858 1.6179123 2.5076124 0.71904936 99970 -1.9806571 1.6282567 2.4117621 0.71880302 99980 -1.988033 1.6129417 2.4371802 0.71855311 99990 -1.995495 1.6011193 2.4490117 0.71829742 100000 -2.0028325 1.6006655 2.4141865 0.71803475 Loop time of 100.129 on 8 procs for 100000 steps with 3375 atoms Pair time (%) = 75.0265 (74.9296) Neigh time (%) = 3.79162 (3.78673) Comm time (%) = 15.3397 (15.3199) Outpt time (%) = 0.304563 (0.30417) Other time (%) = 5.66696 (5.65964) Nlocal: 421.875 ave 429 max 409 min Histogram: 1 0 1 0 0 0 2 0 1 3 Nghost: 4024.38 ave 4031 max 4011 min Histogram: 1 0 0 0 1 0 1 0 4 1 Neighs: 79077.4 ave 80908 max 75929 min Histogram: 1 0 0 1 0 2 0 1 1 2 Total # of neighbors = 632619 Ave neighs/atom = 187.443 Neighbor list builds = 1152 Dangerous builds = 0 Averages -------- Density: 0.714371398017181 Stderr: 0.00387596343498032 Temperature: 1.60068999486527 Stderr: 0.0233028166777768 Pressure: 2.39885947222183 Stderr: 0.119684798976021